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. 2026 Aug 21;21(8):e0355480. doi: 10.1371/journal.pone.0355480

Comparison of inhomogeneous Schottky barrier modeling approaches in SiC polytypes

Fayssal Mekaret 1, Abdelaziz Rabehi 1,2, Baya Zebentout 1, Shahrazade Tizi 1, Abdelmalek Douara 2, Mawloud Guermoui 2, Imad Eddine Tibermacine 3, Amal H Alharbi 4, El-Sayed M El-kenawy 5,6, Mustapha Habib 7,*, Zineb Benamara 1
Editor: Latha Marasamy8
PMCID: PMC13496421  PMID: 42627785

Abstract

This work presents a comprehensive comparative analysis of Schottky barrier (SB) inhomogeneities in three SiC polytypes (3C, 4H, and 6H) using three established theoretical approaches: the Cowley and Sze interface state model, the Werner Gaussian distribution model, and the Tung localized patch model. Through analytical simulations performed in MATLAB, we examined how each model’s intrinsic parameters, including the interface state density (Nss), the standard deviation (σ), and the inhomogeneity parameter (γ), influence the effective Schottky barrier height (SBH) and the corresponding I–V characteristics predicted by each model. Our results demonstrate that each model reveals a distinct physical mechanism governing charge transport at the metal/semiconductor interface. The Cowley and Sze model emphasizes Fermi-level pinning due to interface states, Werner’s model accounts for statistical fluctuations of the barrier height, and Tung’s model describes localized current flow through low-barrier patches. Even though the numerical values obtained for each case are different, Although the three SiC polytypes exhibit different quantitative responses, they all show thermally activated transport behavior. These findings provide valuable guidelines for optimizing Schottky contact performance in high- temperature SiC power devices. The proposed comparative framework serves as a predictive tool for designing, engineering, and improving metal/SiC interfaces in advanced power device technologies.

1. Introduction

Silicon carbide (SiC) has emerged as one of the most promising wide-bandgap semiconductors for high-power, high-frequency, and high-temperature electronic applications due to its large bandgap, high breakdown electric field, excellent thermal conductivity, and outstanding chemical stability [1].

These properties make SiC particularly suitable for next-generation electronic devices intended to operate under extreme conditions, where conventional silicon based technologies reach their physical limits [2]. Among the various types of metal-semiconductor contacts, the Schottky contact plays a decisive role in determining device performance, especially in fast rectifiers and high-voltage components [3].

In the ideal theory of Schottky contacts, the barrier height at the metal-semiconductor interface is assumed to be spatially uniform and determined by the difference between the metal work function and the semiconductor electron affinity, as described by the Schottky–Mott model [4]. However, numerous experimental studies on SiC-based Schottky diodes have revealed significant deviations from this ideal behavior. In practice, the Schottky barrier height (SBH) often exhibits spatial inhomogeneity arising from interface states, structural defects, surface roughness, interfacial layers, as well as local variations in doping and composition. These inhomogeneities strongly affect carrier transport mechanisms, leading to temperature-dependent effective barrier heights, non-ideal current–voltage characteristics, and deviations from classical thermionic emission theory [5].

To explain these behaviors, several theoretical models have been developed to describe Schottky barrier inhomogeneity.

The interface state model proposed by Cowley and Szekn attributes barrier modification to Fermi-level pinning induced by a high density of interface states at the metal-semiconductor junction [6]. Subsequently, Werner and co-workers introduced a statistical model based on a Gaussian distribution of barrier heights, enabling the interpretation of experimentally observed temperature-dependent electrical characteristics [7]. The schematic representation of this inhomogeneous barrier model is shown in Fig 1.

Fig 1. Two-dimensional band diagram of an inhomogeneous Schottky barrier [7].

Fig 1

Complementarily, the localized patch model proposed by Tung assumes that current transport is dominated by local low-barrier regions embedded within a higher barrier background, providing a physical interpretation of spatially non-uniform interfaces [8].

Most published studies on SiC-based Schottky diodes focus either on a specific inhomogeneity model or on a single SiC polytype, particularly 4H-SiC, which currently dominates commercial power electronics applications [9]. The statistics of published works concerning SiC are illustrated in Fig 2.

Fig 2. Total number of SiC publications.

Fig 2

Data are extracted from the Web of Sci-ence Core Collection with keywords “3C-SiC”, “4H-SiC” and “6H-SiC” [9].

In this context, the present work provides a comprehensive comparative study of Schottky barrier inhomogeneity in three SiC polytypes (3C-SiC, 4H-SiC, and 6H-SiC) based on three widely recognized theoretical frameworks: the Cowley–Sze interface-state model, the Werner Gaussian distribution model, and Tung’s localized patch model.

Using analytical simulations performed in MATLAB, we investigate the influence of key inhomogeneity parameters on the effective barrier height and current–voltage characteristics under identical physical conditions.

Although the Cowley–Sze, Werner, and Tung models are widely used to analyze Schottky barrier inhomogeneities, comparative studies examining these approaches under identical simulation conditions and across different SiC polytypes remain limited.

The novelty of this work lies in the development of a unified analytical simulation platform that confronts the interface-state model, the Gaussian inhomogeneity model, and the microscopic patch theory under identical physical boundaries.

By correlating the interfacial parameters (σ, γ, and Nss) with the intrinsic properties of 3C-SiC, 4H-SiC, and 6H-SiC, this study provides a comparative framework for evaluating the influence of barrier inhomogeneities on charge transport behavior. The obtained results help clarify the applicability of each model under different interface conditions and SiC polytypes.

The rest of the paper is organized as follows. Section 2 presents the theoretical models and simulation parameters used in this study. Section 3 discusses the comparative results, sensitivity analyses, and experimental validation for the different SiC polytypes. Finally, Section 4 summarizes the main conclusions and engineering insights.

2. Analytical models for Schottky Barrier Inhomogeneity

2.1. Homogeneous case (ideal case)

In an ideal metal-semiconductor junction, the SBH (ΦBideal) can be accurately estimated using the Schottky-Mott rule, originating in the 1930s, this rule applies electrostatic principles to predict energy-level alignment in various problems [10].

According to the Schottky-Mott model, ΦBideal  is expressed from the difference between the metal work function and the semiconductor affinity

ΦBideal =ΦM −χ (1)

2.2. Inhomogeneous case

In an ideal Schottky contact, the barrier height at the metal–semiconductor interface is considered uniform across the entire junction area. However, in real devices, this assumption often fails due to various imperfections at the interface, such as surface roughness, defects, non-uniform doping, and interfacial layers [11].

These factors lead to spatial fluctuations in the local barrier height, resulting in what is referred to be an inhomogeneous SB. Instead of a single, well-defined barrier, the contact exhibits a distribution of barrier heights.

This inhomogeneity significantly influences the electrical behavior of the device, particularly at low temperatures or under small forward biases, where carriers preferentially traverse regions of lower barrier height [12].

Several models have been developed to describe this phenomenon, including the interface-state model (Cowley and Sze), the Gaussian distribution model (Werner), and the localized patch model (Tung), each offering different insights into the nature and impact of the inhomogeneities.

2.2.1. The Cowley and Sze model.

The Cowley and Sze theory describes the formation of the SB in the presence of a high density of interface states at the metal–semiconductor junction [6].

These states pin the Fermi level at the interface, making the SBH largely independent of the metal work function [13].

This model contrasts with the ideal case (Schottky–Mott model), which assumes a clean interface without interface states.

Φ𝐁 𝐂𝐨𝐰𝐥𝐞𝐲=  C2( Φ𝐌− χ𝐬𝐜)+(1−C2)( 𝐄𝐠−  Φ0 ) (2)

Φ0 represents the neutral level of interface states, and is given by:

Φ0=𝐄𝐠𝐪− 𝐂2 χ+ 𝐂3 1−𝐂2  (3)
𝐍𝐬𝐬=(1−𝐂2 )ϵ𝐬𝐂2𝐝ox.𝐪2 (4)

Nss and dox denote the density of interface states and the thickness of the interfacial oxide layer, respectively, while ϵ𝐨𝐱 represents the permittivity of the semiconductor.

The values of C2 and C3  are extracted from the ΦB curve as functions of  ΦM for each polytype. Here, C2 represents the slope, and C3 denotes the intercept. The values of C2 and C3 are discussed in detail in our previous work [14].

2.2.2. The Gaussian model (Werner model).

After Cowley and Sze model, we examine the Gaussian distribution approach is examined to describe barrier inhomogeneities in Schottky junctions.

This model assumes that the barrier height follows a Gaussian distribution, with variations around an average value [15].

The standard deviation σof this distribution characterizes the degree of inhomogeneity in the barrier [16], and this factor plays a crucial role in determining the electrical properties of the junction.

According to the Werner model, the total current density J flowing through the Schottky diode is given by:

                             J=∫j(V,ΦB )ρ(ΦB )dΦB  (5)

j(V,ΦB )is the density of the elementary thermionic current emitted in the Schottky diode with barrier ΦB, and ρ(ΦB ) is the Gaussian distribution

j(V,ΦB )=Js[exp(qVakBT)−1] (6)

Where Js is the saturation current:

Js=AA*T2exp(−qΦBeffekBT) (7)
ρ(ΦB,σ)=12πσ2 exp [−(ΦB −ΦB0  )22σ2] (8)
Φeffe=Φ―B0  −qσ22kBT (9)

The lower integration limit ΦBmin is equal Φ―B0  −7σ and the maximum integration limit is equal Φ―B0   [17] which is the average value of the barrier and is equivalent to the ideal barrier in the homogeneous case (the difference between the metal’s work function and the semiconductor’s electron affinity). Φeffe denotes the corresponding effective barrier. The maximum Schottky barrier height Φ―B0   as well as the variance σ are suggested in the literature to be in principle dependent on the applied bias V [18].

2.2.3. Tung model.

The Tung model describes Schottky barrier inhomogeneity by assuming the presence of localized low-barrier patches embedded within a higher uniform barrier background [19].

These patches arise from microscopic interface defects or non-uniformities and dominate current transport at low temperatures. Unlike statistical models, Tung’s approach provides a physical interpretation of inhomogeneity based on patch geometry and distribution, introducing an inhomogeneity parameter γ that quantifies the effect of these regions on the overall device behavior [19], γ is defined as:

γ=3(ΔR024)1/3 (10)

The equation (10) relates γ to Δ the barrier lowering (the difference between the high barrier and the local low barrier), and R0, the radius of the patch.

A larger Δ or R0 increases γ, indicating stronger inhomogeneity and a greater contribution of the patch to the total current.

The formulation of the current in a low-barrier region is as follows:

Ipatch=A* Apatch𝐞𝐱𝐩(−βΦeffe  )exp(β Va−1) (11)
Apatch=4πγη2/3/9βVbb2/3 (12)
ΦBeffe=ΦB0 −γVbb1/3η1/3 (13)

Where  Apatch is the effective area of current conduction for the patches and Φeffe  is the effective barrier height, Vbb is the band bending under forward bias Va. ΦB0 is the ideal barrier (homogeneous case) [20].

Vbb=ΦM−(χ+kTq×logNcNd ) (14)
η=2εsqNd (15)

Nd is the doping concentration.

Considering a narrow distribution of γ, and assuming a patch density of c1, the total current flowing through the individual patches is given by:

∑Ipatch=c1AIpatch  (16)

Where A is the total diode area.

The current through the high barrier, bulk region of the diode area is given by the thermionic emission equation:

Ibulk=A(1−c1Apatch)A*T2𝐞𝐱𝐩(−βΦB0 )exp(βVa−1) (17)

The total current flowing through the diode is determined as the sum of the low-barrier patch current (Ipatch) and the current passing through the uniform bulk region (Ibulk) with a barrier height of ΦB0 [20].

Itot=AA*T2𝐞𝐱𝐩(−βΦB0 )exp(βVa−1)  [1+4c1πη2/3 γ9βVbb2/3𝐞𝐱𝐩(βγVbb13η13)] (18)

3. Simulation results and discussion

Before starting our analytical simulation, in the study of inhomogeneous Schottky barriers in the three SiC polytypes, it is crucial to select the metal that ensures good rectifying behavior for each polytype.

To select the most suitable junction metal for each SiC polytype, we relied on previously published experimental studies dedicated to the investigation of the Schottky barrier for each specific polytype.

It is worth noting that 4H-SiC is the most widely used polytype in reported SiC-based Schottky diodes. This material has demonstrated remarkable electrical stability and high compatibility with a broad range of contact metals, including titanium, nickel, tungsten, and molybdenum. The choice of metal for each polytype is based on the following studies:

F. Roccaforte et all [21], J. Eriksson [22] et all and G. Constantinidis et all [23] demonstrated through detailed experimental studies that Platinum, when used as a junction metal with 3C-SiC, offers excellent Schottky rectification performance.

J.M. Bluet et all [24] and M. E. Aydın [25] have published experimental studies demonstrating the very good compatibility between Nickel and 4H-SiC. When these two are brought into contact, the resulting Schottky diode exhibits excellent rectification performance.

M. O. Aboelfotoh [26] and A.Bekaddour [27]et all investigated the Titan/6H-SiC Schottky diode, and the published results demonstrate the efficiency and high performance of this device. It should be noted that the doping level was fixed at 10¹⁵ cm ⁻ ³ throughout the entire simulation.

The simulations were carried out in MATLAB using the analytical formulations of the Cowley–Sze, Werner, and Tung models over the temperature range of 100–500 K. For each temperature, the effective Schottky barrier height was calculated using the corresponding model equations and the material parameters listed in Table 1. The forward current density was then determined over the voltage range from 0 to 3V by solving the thermionic-emission equation including the series resistance term.

Table 1. Experimental values of the ideality factor at different temperatures.

Diode n for 100K n for 200K n for 300K n for 400K n for 500K Reference
Pt/3C-SiC / 1.4 1.22 1.17 1.14 [21], [22]
Ni/SiC 2.04 1.31 1.17 1.11 1.08 [24], [25]
Ti/6H-SiC 1.89 1.24 1.11 1.06 1.03 [26], [27]

The numerical solution was obtained using the Newton–Raphson iterative method. The iteration process was repeated until the absolute difference between two successive current-density values became smaller than 10−12 A/cm2.

A maximum number of iterations was imposed to ensure numerical stability. All calculations were performed using double-precision arithmetic. The simulations assume one-dimensional transport and uniform material properties for each SiC polytype.

The numerical implementation was validated by verifying the physical consistency of the results and their agreement with trends reported in the literature

3.1. Study of the Schottky barrier for each model

3.1.1. Cowley and Sze SB.

In this first part, we investigate the relationship between three critical parameters of the inhomogeneous barrier according to The Cowley and Sze model: temperature, ideality factor(n), and interface states (Nss).

The variation of the calculated interface state density across the studied structures reflects the degree of Fermi-level pinning. Physically, a higher value of Nss indicates a greater density of structural defects at the interface, these defects act as an electrostatic screen against the metal work function [6]. Consequently, as Nss increases, the control of the contact metal over the Schottky barrier height diminishes, pinning the Fermi level near the charge neutrality level (Φ0) [10].

This pinning effect varies with the selected SiC polytype due to their distinct surface energies and band structures, shifting the transport dynamics from an ideal case to a surface-state dominated regime [28].

n=1+doxεi [εsw+qNss] (19)

Wis the width of the depletion zone.

𝐖=2ϵ𝐬𝐪𝐍𝐝 (𝐯𝐛𝐛−Va−𝐤𝐓𝐪) (20)

As illustrated in Fig 3, the interface state density Nss exhibits a clear decreasing trend with increasing temperature across all three SiC polytypes.

Fig 3. Temperature-Dependent Evolution of Interface States in Schottky Diodes Based on (a) 3C-SiC, (b) 4H-SiC, and (c) 6H-SiC under the Inhomogeneous Barrier Model of Cowley and Sze.

Fig 3

This physical behavior is in rigorous agreement with the experimental findings of Benamara et al. [29], who observed a similar reduction in Nss for SiC Schottky diodes and attributed it to the thermal emission of trapped charges at the interface.

Furthermore, our results are consistent with the numerical simulations performed under Silvaco by Toumi et al. [30] for Au/n-GaAs Schottky structures, which also demonstrated that interface state effects and barrier inhomogeneities are strongly attenuated as thermal energy rises.

The convergence between our analytical MATLAB simulations and these documented experimental and numerical studies confirms the validity of the proposed framework in capturing the temperature-dependent reorganization of the metal-semiconductor interface

To better understand the nature of the barrier in the inhomogeneous Cowley and Sze case, it is plotted as a function of temperature and Nss (Figs 4 and 5).

Fig 4. Variation of the Schottky barrier height as a function of temperature for Pt/3C-SiC, Ni/4H-SiC, and Ti/6H-SiC structures based on Cowley and Sze model.

Fig 4

Fig 5. Variation of the Schottky barrier height as a function of interface sates for Pt/3C-SiC, Ni/4H-SiC, and Ti/6H-SiC structures based on Cowley and Sze model.

Fig 5

Fig 4 illustrates the evolution of the effective barrier height as a function of temperature for different SiC polytypes.

The Nss values applied in the barrier height calculation are the same as those presented in Fig 3, these values are derived from experimental studies, the references of which are listed in Table 1.

The interfacial layer thickness was fixed at 20 Å (≈ 2 nm) in order to represent realistic metal/SiC interfaces. In practical Schottky contacts, a thin interfacial oxide or disordered transition layer is almost inevitably formed during surface preparation and metal deposition processes [31].

A finite interfacial layer thickness is essential for reproducing non-ideal interface behavior, including interface dipoles, partial Fermi-level pinning, and spatial Schottky barrier inhomogeneity as described by the Cowley–Sze model [6].

For 3C-SiC and 4H-SiC, the effective barrier height increases gradually with temperature, indicating a reduction of the interface-related pinning effects.

As the surface charge density Nss decreases at higher temperatures, the metal/semiconductor coupling becomes stronger, leading the barrier height to approach the intrinsic value defined by the difference between the metal work function and the semiconductor electron affinity.

In contrast, the 6H-SiC polytype shows a clear decrease in the effective barrier height with increasing temperature. In the Cowley and Sze model, the temperature dependence of the barrier height originates from how the two terms in the equation (2) respond to the reduction of the bandgap Eg(T).

The term C2( Φ𝐌− χ𝐬𝐜) is largely temperature-independent, while the term (1−C2)(𝐄𝐠−Φ0) decreases as Eg shrinks with increasing temperature.

When ( Φ𝐌− χ𝐬𝐜) is large, the first term dominates and remains stable, making the decrease in the second term too small to affect the overall trend; thus, the barrier height slightly increases with temperature.

Conversely, if ( Φ𝐌− χ𝐬𝐜)is small, as in the Ti/6H-SiC contact, the barrier height is primarily governed by (𝐄𝐠−Φ0). Since this term decreases significantly with Eg(T), the barrier height decreases as temperature rises.

Fig 5 illustrates how the effective SBH evolves as a function of interface state density Nss for three different metal/SiC combinations, based on the Cowley and Sze model. The Fig reveals two distinct trends depending on the specific metal/semiconductor pair.

The selected range of interface state density (Nss) in this study spans from 5×1011 to 5×1013 cm-2 eV-1. This wide range is physically justified by and closely aligned with the experimental findings reported for 4H-SiC Schottky interfaces.

In particular, the experimental work of Khanna et al [32] on metal/4H-SiC structures demonstrated extracted Nss values ranging between 2×1012 to 6.5×1012 cm-2 eV-1 and Benamara et al., who worked on the Ni/6H-SiC diode, reported a reduction in the interface state density Nss from 1.2 × 1013 to 6 × 1012 cm−2 eV−1.

By adopting a broader interval 5×1011 to 5×1013 cm-2 eV-1, our simulation covers experimental values for both high-quality interfaces and more disordered contacts typically observed in practical SiC devices.

For the Pt/3C-SiC and Ni/4H-SiC contacts, the barrier height decreases progressively as Nss increases. This behavior is attributed to interface states, which disturb the ideal energy alignment at the metal/semiconductor interface.

As the interface-state density increases, the Fermi level becomes more strongly pinned near the charge neutrality level of the semiconductor. When this level lies deeper within the bandgap than the ideal barrier expected from vacuum-level alignment, the overall barrier height is reduced [33].

Conversely, in the Ti/ 6H-SiC structure, the barrier height increases with Nss. This indicates that, for this particular combination, the charge neutrality level is located closer to the conduction band edge, and as interface states accumulate, they push the Fermi level upward.

Fundamentally, the interface states serve to amplify the blocking effect, thereby rendering electron injection increasingly difficult as the density of surface states (Nss) rises [6].

These contrasting behaviors emphasize the critical role of the semiconductor’s band structure and electron affinity in determining how interface states affect the Schottky barrier. The same mechanism interface-induced band bending can either lower or raise the barrier depending on the energetic alignment between the metal and the semiconductor.

3.1.2. Werner SB.

In this section, we will investigate the effect of temperature and the standard deviation on the Gaussian inhomogeneous effective SB for the three SiC-based polytype diodes.

Fig 6 illustrates the evolution of the effective SBH as a function of temperature for three metal/SiC contacts using Werner’s inhomogeneous barrier model.

Fig 6. Variation of the Schottky barrier height as a function of temperature for Pt/3C-SiC, Ni/4H-SiC, and Ti/6H-SiC structures based on Werner model.

Fig 6

To understand the physical origin of the temperature-dependent electrical characteristics, Werner’s model introduces a macroscopic statistical approach where the Schottky barrier height is spatially inhomogeneous and follows a continuous Gaussian distribution [7].

Physically, the current transport is governed by a competitive trade-off between the available thermal energy and the magnitude of potential fluctuations, quantified by the standard deviation (σ) [34].

At high temperatures, charge carriers have enough thermal energy to overcome the mean barrier height. As the temperature decreases, however, carriers preferentially flow through localized regions with lower barrier heights within the Gaussian distribution [35]. Consequently, the experimentally extracted effective barrier height decreases at low temperatures.

This behavior is strongly affected by the intrinsic properties of the SiC polytypes. Wide-bandgap polytypes such as 4H-SiC (Eg ≈ 3.26 eV) are more sensitive to barrier-height fluctuations than narrower-bandgap polytypes such as 3C-SiC (Eg ≈ 2.3 eV). This behavior arises from the enhanced sensitivity of high-barrier contacts to local potential fluctuations [36].

In the numerical of Werner’s model, the standard deviation (σ), which characterizes the degree of barrier height inhomogeneity, was set to 0.09 eV. This value was carefully selected based on a comparative analysis of established experimental literature on SiC-based Schottky diodes. Specifically, reported extractions of σ for various SiC interfaces 0.09 eV (Bluet et al. [24]), and 0.092 eV (Toumi et al [37]) and 0.08 eV (Ouennoughi et al [38]). By adopting a mean value of 0.09 eV, we ensure that our simulation framework remains within a physically realistic range, accurately reflecting the potential fluctuations typically observed in real-world SiC power devices.

At low temperatures, electrons do not possess sufficient thermal energy to overcome high-barrier regions. As a result, current transport is dominated by low-barrier regions, leading to a lower effective barrier height [39].

With increasing temperature, charge carriers acquire sufficient energy to overcome higher barrier regions. Consequently, current transport becomes more homogeneous across the interface, and the effective barrier height progressively increases before reaching saturation [40].

This explains why all the curves show a rise in ΦBeffe with temperature. This result is in rigorous agreement with the experimental I–V–T characterization of Mo/4H–SiC Schottky diodes reported by Ouennoughi et al [38].

Their work confirms that for inhomogeneous contacts, ΦBeffe increases with temperature due to the Gaussian distribution of barrier heights, where carriers preferentially bypass higher potential regions at lower temperatures.

The fact that our analytical simulations perfectly replicate this experimentally observed behavior.

In Werner’s model, SB inhomogeneity parameter σplays a key role, as it reflects the degree of fluctuation in barrier heights across the metal/semiconductor interface.

The Fig 7 shows the evolution of the effective SBH ΦBeffe  as a function of the standard deviation σ, at room temperature. As expected, all three structures exhibit a progressive decrease in ΦBeffe  as σ increases.

Fig 7. Variation of the Schottky barrier height as a function of standard deviation for Pt/3C-SiC, Ni/4H-SiC, and Ti/6H-SiC structures based on Werner model.

Fig 7

This behavior is due to the fact that a broader distribution of local barrier heights amplifies the influence of the lower-barrier regions in charge transport [7].

Electrons naturally follow the paths with the lowest energy barriers, so a more disordered interface leads to a lower effective barrier, even if the average barrier height remains unchanged [40].

These observations highlight the importance of controlling interface defects to ensure reproducibility and reliable performance of SiC-based Schottky devices.

3.1.3. Tung SB.

In this section, we investigate the effect of temperature on the effective barrier height described by the Tung model, as expressed in equation (13).

The inhomogeneity parameter was set to a reference value of γ = 4 × 10;⁻4 cm2/3V1/3. This specific choice is physically justified by the foundational work of Tung et al.[19], where this value represents the upper boundary used to model localized barrier patches and simulate non-ideal Schottky current-voltage characteristics.

Furthermore, this value sits perfectly within the experimental range of 2 × 10 ⁻ 3 to 7 × 10;⁻4 cm2/3 V1/3 extracted by Omar et al. for Ni-Si/4H-SiC diodes, making it a highly representative benchmark for evaluating localized potential fluctuations in practical SiC devices [8,20].

On a microscopic scale, Tung’s patch model provides a rigorous interpretation of transport anomalies by considering discrete low-barrier regions embedded within a uniform high-barrier matrix.

The physical significance of the inhomogeneity parameter γ lies in its ability to dictate the electrostatic pinch-off effect at the interface.

When the γ increases representing either a larger patch radius or a greater potential departure the lateral electric field originating from the surrounding high-barrier regions strongly interacts with the potential profile of the low-barrier patches [41].

From Fig 8 the observed decrease in the effective SBH in Tung’s model for diodes based on the three SiC polytypes represents an intrinsic behavior linked to the transport mechanism assumed by this model.

Fig 8. Variation of the Schottky barrier height as a function of temperature for Pt/3C-SiC, Ni/4H-SiC, and Ti/6H-SiC structures based on Tung’s model.

Fig 8

At these moderate temperatures, current does not flow uniformly across the interface but is instead strongly channeled through local low-barrier regions, commonly referred to as patches.

At 100 K, electrons possess limited thermal energy. Consequently, current transport occurs mainly through localized low-barrier patches that remain energetically accessible. However, only a limited number of conduction paths contribute to the current at this temperature [5].

As temperature increases toward 300 K, two main effects occur [5]:

  1. The number of thermally activated low-barrier patches increases, enabling additional localized conduction paths.

  2. Current transport remains dominated by these low-barrier regions, while high-barrier regions contribute only weakly.

In this intermediate regime, the increasing contribution of low-barrier patches enhances localized transport and progressively lowers the extracted effective barrier height.

Beyond 300 K, the effective SB height tends to stabilize because the majority of the transport paths including those passing through higher-barrier regions become thermally accessible.

As a result, the current flow is no longer confined to low-barrier patches but starts to sample the entire inhomogeneous interface.

This leads to a saturation effect, where the measured barrier height reflects a statistical average of the spatial barrier distribution.

At this stage, the influence of local fluctuations diminishes, and the barrier becomes effectively temperature-independent within the model’s assumptions.

This result is in excellent agreement with the experimental study of Omar et al. [20] on Ni-Si/4H-SiC diodes. According to their findings, the pinch-off effect limits the current flow through these patches, making the effective barrier height extremely sensitive to thermal energy.

Our MATLAB simulations successfully replicate this phenomenon, showing that as temperature decreases, the current is increasingly ‘channeled’ through these inhomogeneities, a trend that perfectly matches the experimental extractions reported in the literature for SiC interfaces.

Another important factor in Tung’s model is the inhomogeneity parameter γ.

In Fig 9, the barrier height of the three Schottky diodes under investigation is plotted as a function of γ.

Fig 9. Variation of the Schottky barrier height as a function of inhomogenity parameter for Pt/3C-SiC, Ni/4H-SiC, and Ti/6H-SiC structures based on Tung’s model.

Fig 9

To investigate the influence of localized potential fluctuations within the framework of Tung’s model, the inhomogeneity parameter (γ) was analyzed across a range from 2×10−4 to 8× 10−4 cm2/3V1/3.

This selected range is physically justified by and closely aligned with the foundational literature on barrier height inhomogeneities.

Specifically, the seminal work of Tung. [19] evaluated I-V characteristics using gamma values ranging from 2×10−4 to 4× 10−4 cm2/3V1/3, while the comprehensive experimental study by Omar et al. [20] on Ni-Si/4H-SiC diodes extracted the Schottky barrier parameters and investigated interface non-uniformity for 2×10−3 to 7× 10−4 cm2/3V1/3.

The parameter γ characterizes the degree of lateral inhomogeneity at the interface. It reflects the density and size of local low-barrier patches.

For low γ values, these patches contribute weakly to the total current.

The barrier height observed experimentally remains relatively close to the ideal homogeneous value. However, as γincreases, the number or influence of these low-barrier patches grows, leading to two major physical effects [19]:

  1. A larger fraction of the current is redirected through these locally favorable regions, as electrons naturally follow the paths of least resistance;

  2. Transport becomes increasingly non-uniform across the interface, leading to a reduction in the apparent barrier height.

This phenomenon reflects a well-documented experimental reality. In real interfaces, once significant topographical or chemical irregularities are present, electrons tend to concentrate their flow through the most favorable microscopic paths. Increasing γ magnifies this current-funneling effect, allowing the influence of these patches to dominate, and thereby reducing the measured effective barrier height.

The consistently decreasing trend observed in the simulations confirms that even moderate increases in interfacial inhomogeneity can strongly distort the barrier profile experienced by charge carriers.

This simulated trend follows the pinch-off theory proposed by Tung [19] and is consistent with the experimental findings of Omar et al.[20], who reported that enhanced lateral inhomogeneities (larger γ) significantly lower the apparent average barrier height by redirecting a larger fraction of the current through locally favorable regions..

3.1.4. Comparative temperature-dependent analysis.

To further emphasize the importance of temperature in Schottky barrier inhomogeneity, the thermal behavior predicted by the three investigated models is summarized in Table 2 and discussed below.

Table 2. Summary of the temperature dependence predicted by the three inhomogeneity models.
Model Temperature dependence of effective SBH Physical origin
Cowley and Sze Slight increase for Pt/3C-SiC and Ni/4H-SiC; decrease for Ti/6H-SiC Variation of interface-state pinning and bandgap
Werner Monotonic increase Reduced dominance of low-barrier regions
Tung Decrease from 100 to 300 K, then saturation Activation of localized low-barrier patches

Overall, the comparative analysis confirms that temperature plays a fundamental role in all three inhomogeneity models.

Although the specific thermal trends differ depending on the underlying physical mechanism, the simulations consistently demonstrate that temperature strongly affects both the effective Schottky barrier height and the resulting current–voltage characteristics.

These results highlight the necessity of incorporating temperature-dependent analysis when modeling SiC-based Schottky contacts intended for high-temperature power applications.

3.2. Study of the I–V characteristic for each model

In this section, the I–V characteristics are investigated with respect to the key parameters of each inhomogeneity model, for the Cowley and Sze model, the effect of interface states is studied by varying the interface state density (Nₛₛ).

In the case of the Werner model, the current–voltage behavior is analyzed as a function of the standard deviation (σ) representing the barrier height distribution.

Finally, for the Tung model, the inhomogeneity parameter (γ), which reflects the fraction of the contact area with lower barrier height, is considered.

This comparative analysis allows for a better understanding of how each parameter influences charge transport through the metal/semiconductor interface.

From Fig 10, it can be seen that, for the 3C-SiC and 4H-SiC polytypes, increasing the interface state density Nss leads to a reduction in the effective barrier height, which in turn results in higher forward currents in the I–V characteristics.

Fig 10. Effect of interface state density (Nₛₛ) on the I–V characteristics of (a) Pt/3C-SiC, (b) Ni/4H-SiC, and (c) Ti/6H-SiC Schottky diodes at T = 300 K based on the Cowley and Sze model.

Fig 10

In contrast, for the 6H-SiC polytype, the effective barrier height increases as Nss rises, and the corresponding I–V curves exhibit a clear decrease in forward current with increasing Nss.

To verify the accuracy of the implemented analytical model, the simulated forward current-voltage (I-V) characteristics at room temperature (T = 300 K) were compared with experimental results from the literature.

As shown in Fig 10, the simulated curve for the 4H-SiC polytype exhibits a high degree of similarity in terms of slope and current magnitude with the experimental I-V data reported by Bluet et al. [24] for high-voltage (4.5 kV) Ni/4H-SiC Schottky diodes.

The simulated current–voltage (I–V) characteristics for the three SiC-based Schottky diodes (Pt/3C-SiC, Ni/4H-SiC, and Ti/6H-SiC) at room temperature are presented in Fig 11 as a function of the standard deviation σ of the SBH distribution.

Fig 11. Simulated I–V characteristics based on Werner’s model for Pt/3C-SiC, Ni/4H-SiC, and Ti/6H-SiC diodes at various σ values.

Fig 11

According to the Werner model, increasing σresults in a broader Gaussian distribution, which increases the likelihood of charge carriers encountering locally lower barrier regions.

This leads to a noticeable enhancement of the forward current, especially at lower voltages, where these inhomogeneities dominate the conduction.

The effect is more prominent in the Ti/6H-SiC diode, which already has the lowest mean barrier height, making it more sensitive to the tail of the distribution.

Conversely, Pt/3C-SiC and Ni/4H-SiC diodes show a relatively more moderate current increase with σ, consistent with their higher barrier heights.

These trends confirm the key role of σin determining the diode’s forward conduction behavior and illustrate the strength of the Werner model in capturing the impact of barrier inhomogeneities.

Latreche et al. [42] demonstrated, through an experimental study involving the extraction of the standard deviation σ at different temperatures, that σ increases with temperature, in a trend similar to that of the effective SBH.

These experimental findings reinforce the relevance of our simulated I-V characteristics versus σ, showing that the effect of Gaussian broadening is consistent with real behavior observed in the literature.

The Fig 12 shows the simulated I -V characteristics based on the Tung model for three inhomogeneous Schottky diodes using different SiC polytypes: Pt/3C-SiC, Ni/4H-SiC, and Ti/6H-SiC.

Fig 12. Simulated I–V characteristics based on Tung’s model for Pt/3C-SiC, Ni/4H-SiC, and Ti/6H-SiC diodes at various γ values.

Fig 12

The effect of the inhomogeneity parameter γ is analyzed by varying it from 2 × 10−4 to 8 × 10−4 cm2/3 v1/3.

A clear trend is observed: as γ decreases, the current increases significantly for a given forward bias. This behavior is attributed to stronger barrier inhomogeneities, which enhance transport through low-barrier patches.

In contrast, a higher γleads to a more uniform barrier and current behavior closer to the ideal thermionic emission.

This effect is especially pronounced in the forward conduction regime.

3.3. Comparison between the three models

In order to better understand the impact of interface inhomogeneities at the metal/SiC junction, this section provides a comprehensive comparison between the three most commonly used theoretical models: the Cowley and Sze model, the Werner model, and the Tung model.

For each SiC polytype (3C, 4H, and 6H), we simulated the I–V characteristics at 100 K, 300 K, and 500 K. These simulations highlight how the electrical behavior evolves with temperature, and allow for a direct comparison of the physical assumptions embedded in each model.

Three graphs are presented for each polytype, each showing the results of the three models at a given temperature. This visual approach helps to identify differences in behavior, particularly at low temperatures where the sensitivity to interface states and potential fluctuations becomes more pronounced.

In this section dedicated to comparing the I-V characteristics of the three models, the specific parameters for each model are:

  • For the Cowley and Sze model, the interfacial oxide layer (dox) is fixed at 20 Å, and the values of Nss are those listed in the Table 1.

  • For the Werner model, the standard deviation sigma used in the simulation is equal to 0.09eV.

  • For the Tunger model, the inhomogeneity parameter used in the simulation is equal to 4.10−4 cm2/3 V1/3.

Figs 13–15 show the simulated I–V characteristics of Pt/3C-SiC, Ni/4H-SiC, and Ti/6H-SiC Schottky diodes at 100, 300, and 500 K.

Fig 13. I-V characteristics of the Pt/3C-SiC Schottky diode at 100,300 and 500K simulated using the Cowley and Sze, Werner, and Tung inhomogeneity models.

Fig 13

Fig 15. I-V characteristics of the Ti/6H-SiC Schottky diode at 100,300,500 K, simulated using the Cowley and Sze, Werner, and Tung inhomogeneity.

Fig 15

Fig 14. I-V characteristics of the Ni/4H-SiC Schottky diode at 100,300 and 500 K simulated using the Cowley and Sze, Werner, and Tung inhomogeneity models.

Fig 14

Across all devices, increasing temperature shifts the curves toward higher currents at the same applied voltage, consistent with the thermionic emission mechanism.

The Cowley and Sze model exhibits the smallest variation in current with temperature, as the effective barrier remains relatively stable due to strong pinning.

A high interface state density thus limits the current and attenuates its thermal evolution. The Werner model reveals a more pronounced temperature dependence: as temperature increases, carriers access a broader portion of the inhomogeneous barrier landscape, low-barrier regions become less dominant, and the effective barrier approaches its average value, leading to a significant increase in forward current.

The Tung model shows the most pronounced deviation from ideal behavior at low temperature: even at 100 K, current is already significant due to conduction through locally depleted barrier regions. Between 100 and 300 K, this effect intensifies, then tends to stabilize around 500 K as transport gradually becomes more homogeneous across the interface.

At identical temperatures and for the same model, the relative order of the currents follows the expected hierarchy of average barriers: the Ti/6H-SiC diode exhibits the highest conduction, Ni/4H-SiC an intermediate level, and Pt/3C-SiC the lowest. However, the separation between these curves clearly depends on the considered inhomogeneity mechanism (pinning, statistical dispersion, or patch conduction).

Overall, the results demonstrate that interface physics plays a more important role in forward conduction than the crystallographic structure of the SiC polytype.

Interface state pinning (Cowley and Sze model) limits current, statistical barrier dispersion (Werner model) redistributes it toward lower values as temperature increases, while localized patch conduction (Tung model) amplifies it at low and intermediate temperatures.

Table 3 presents a comparison of the forward current density values for the three inhomogeneity models.

Table 3. Quantitative comparison of forward current density at 1.5 V for the three inhomogeneity models and SiC polytypes at different temperatures.

Model Polytype Forward Current density at 1.5 V and 100K (A /cm2) Forward Current density at 1.5 V and 300K (A /cm2) Forward Current density at 1.5 V and 500K (A /cm2)
Cowley–Sze 3C-SiC 1,8×10−10 7×10−6 4×10−2
Cowley–Sze 4H-SiC 1,6×10−10 6×10−10 4×10−2
Cowley–Sze 6H-SiC 2×10−2 11×10−2 24×10−2
Werner 3C-SiC 1×10−3 4×10−2 0,16
Werner 4H-SiC 1,53×10−10 3×10−3 4×10−2
Werner 6H-SiC 19×10−2 2×10−1 54×10−1
Tung 3C-SiC 1×10−3 4×10−2 0,18
Tung 4H-SiC 1,6×10−10 7×10−3 4×10−2
Tung 6H-SiC 26×10−2 32×10−2 5×10−1

Table 3 presents a quantitative comparison of the forward current density for the three SiC polytypes at different temperatures and for the three inhomogeneity models. Although significant differences in current magnitude are observed between polytypes, all models consistently predict thermally activated carrier transport, characterized by an overall increase in current density with temperature.

The results also indicate that the choice of the inhomogeneity model has a stronger influence on the predicted electrical characteristics than the SiC polytype itself.

3.4. Pratical device implications

The present modeling results provide several practical insights for the design and optimization of Schottky contacts in high-temperature silicon carbide (SiC) power devices.

In applications such as Schottky barrier diodes (SBDs), metal-semiconductor field-effect transistors (MESFETs), and junction barrier Schottky (JBS) diodes, the choice of the transport model significantly affects the predicted barrier height and current conduction behavior, which directly influences leakage current, forward voltage drop, and thermal stability [43].

Models that account for image-force lowering and interfacial effects, such as the Cowley–Sze and Padovani–Stratton formulations [6,44], generally predict lower effective barrier heights than the ideal thermionic emission model, resulting in higher reverse leakage currents.

This is particularly important for high-temperature operation, where leakage current can increase substantially and compromise device efficiency and long-term reliability [45–50].

The results also indicate that the impact of the transport model is often greater than the influence of the SiC polytype itself, emphasizing the importance of accurate physical modeling during contact engineering. From a practical standpoint, selecting appropriate contact metals, minimizing interface states, and controlling surface preparation are essential to achieve stable barrier heights and reduced current dispersion [14,51–56].

These considerations are critical for the development of robust SiC power devices intended for harsh environments such as electric vehicles, aerospace systems, and high-voltage energy conversion [46].

4. Conclusion

In summary, this work presented a comparative investigation of Schottky barrier inhomogeneity in 3C-, 4H-, and 6H-SiC using the Cowley–Sze, Werner, and Tung models under identical simulation conditions.

The results demonstrated that each model describes a distinct physical mechanism governing carrier transport at the metal/semiconductor interface, including interface-state pinning, statistical barrier-height fluctuations, and localized low-barrier patches.

Although quantitative differences were observed between the investigated SiC polytypes, all models consistently predicted thermally activated transport behavior and highlighted the strong influence of interface inhomogeneities on the effective Schottky barrier height and the corresponding I–V characteristics.

The comparative analysis further showed that the choice of the inhomogeneity model has a stronger impact on the predicted electrical behavior than the SiC polytype itself.

From an engineering perspective, reducing interface-state density, minimizing barrier-height fluctuations, and suppressing localized low-barrier patches are essential for improving barrier stability, reducing leakage current, and enhancing the thermal reliability of SiC Schottky power devices.

Overall, this study provides useful insights into the role of interface inhomogeneities and contributes to a better understanding of charge transport mechanisms in SiC-based Schottky contacts.

Supporting information

S1 File. MATLAB simulation code.

(RAR)

pone.0355480.s001.rar (17.6KB, rar)

Data Availability

All relevant data and MATLAB simulation files supporting the findings of this study are fully available within the paper and its Supporting Information files.

Funding Statement

Princess Nourah bint Abdulrahman University Researchers Supporting Project number (PNURSP2026R120), Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia.

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Reviewer's Responses to Questions

Comments to the Author

1. Is the manuscript technically sound, and do the data support the conclusions?

Reviewer #1: Yes

Reviewer #2: Partly

**********

2. Has the statistical analysis been performed appropriately and rigorously? -->?>

Reviewer #1: Yes

Reviewer #2: I Don't Know

**********

3. Have the authors made all data underlying the findings in their manuscript fully available??>

The PLOS Data policy

Reviewer #1: Yes

Reviewer #2: Yes

**********

4. Is the manuscript presented in an intelligible fashion and written in standard English??>

Reviewer #1: Yes

Reviewer #2: Yes

**********

Reviewer #1: Reviewer Comments

Lack of Experimental Validation

The study is entirely based on analytical simulations performed in MATLAB without any experimental verification. While the theoretical comparison is valuable, the absence of experimental data significantly limits the practical relevance of the findings. The authors are encouraged to validate their results with published experimental data or provide a critical comparison with literature-reported values.

Insufficient Justification of Model Parameters

Key parameters such as interface state density (Nss), standard deviation (σ), and inhomogeneity parameter (γ) are central to the analysis. However, the manuscript does not clearly justify the selected parameter ranges or their physical relevance to real SiC devices. A more detailed explanation or literature support is necessary.

Limited Novelty in Model Comparison

The three models (Cowley and Sze, Werner, and Tung) are well-established in the literature. The manuscript should more clearly highlight the novelty of this comparative study, particularly how it advances beyond existing reviews or prior comparative works.

Inadequate Physical Interpretation

Although the models are described, the discussion lacks depth in explaining the underlying physics of the observed trends. The manuscript would benefit from a more rigorous interpretation of how each parameter influences carrier transport and barrier formation in different SiC polytypes.

Absence of Temperature-Dependent Analysis

Schottky barrier inhomogeneity is strongly temperature dependent, especially in SiC-based power devices. The manuscript does not consider temperature effects, which is a significant limitation. Including temperature-dependent simulations would greatly strengthen the study.

Comparison Between SiC Polytypes Needs Strengthening

The conclusion that all three SiC polytypes show similar trends is not sufficiently supported with detailed quantitative comparison. The authors should provide clearer comparative plots, tabulated results, or normalized analysis to substantiate this claim.

Practical Device Implications Are Underdeveloped

While the manuscript mentions applications in high-temperature power devices, the discussion does not adequately connect the modeling results to real device design considerations (e.g., contact engineering, reliability, leakage current control). This aspect should be expanded.

Clarity in MATLAB Simulation Methodology

The manuscript lacks sufficient detail regarding the simulation procedure, boundary conditions, and assumptions used in MATLAB. Reproducibility requires a clearer description of equations, numerical methods, and convergence criteria.

Graphical and Data Presentation

The effectiveness of the comparative analysis depends heavily on visual representation. The manuscript should include clearer, high-quality plots showing I–V characteristics, SBH variation, and parameter sensitivity across models and polytypes.

Language and Technical Presentation

The manuscript contains several long and complex sentences that affect readability. Careful language editing is required to improve clarity, precision, and flow of the discussion.

Reviewer #2: The novelty of the work must be included in the introduction part.

The current–voltage (I–V) characteristics were simulated at 100 K, 300 K, and 500 K for each SiC polytype (3C, 4H, and 6H). Why did the authors choose these temperatures? Please justify.

Although a conclusion is provided for the comparison between the 3C, 4H, and 6H models, the purpose of the comparison study is not clear. Please include it.

How reliable is the MATLAB simulation software, and how will this study be useful for experimental investigations?

Please check the alignments.

**********

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Reviewer #1: Yes:  Dr.P.Sasikumar

Reviewer #2: No

**********

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Attachment

Submitted filename: Reviewer comments-D-26-11447.docx

pone.0355480.s002.docx (12.8KB, docx)
PLoS One. 2026 Aug 21;21(8):e0355480. doi: 10.1371/journal.pone.0355480.r002

Author response to Decision Letter 1


2 Jun 2026

Manuscript Number: PONE-D-26-11447

Response to Reviewers

We would like to thank the Editor and the Reviewers for their valuable time and constructive comments regarding our manuscript entitled “Comparison of Inhomogeneous Schottky Barrier Modeling Approaches in SiC Polytypes” submitted to PLOS ONE. We sincerely appreciate the insightful suggestions and comments provided by the Reviewers, which helped us improve the quality and clarity of the manuscript. We have carefully addressed all comments and incorporated the corresponding revisions in the updated version of the paper.All modifications made in the revised manuscript are highlighted in red. A detailed point-by-point response to each reviewer comment is provided below in blue.

1.Lack of Experimental Validation

The study is entirely based on analytical simulations performed in MATLAB without any experimental verification. While the theoretical comparison is valuable, the absence of experimental data significantly limits the practical relevance of the findings. The authors are encouraged to validate their results with published experimental data or provide a critical comparison with literature-reported values.

Author reponse :

We sincerely thank the reviewer for this valuable suggestion. We agree that comparing theoretical modeling with experimental results is important to demonstrate the physical relevance of our study. In the revised manuscript, we improved the discussion by directly comparing our simulation results with previously reported experimental studies as folluws :

Cowley–Sze Validation (Nss): The simulated decrease in Nss with increasing temperature has been cross-referenced with the experimental work of Benamara et al. [29] on SiC Schottky diodes and the TCAD simulations of Toumi et al. [30] on GaAs structures, both confirming the thermal emission of trapped charges.

Werner Model Validation (σ Trends): Our simulated temperature dependence of the effective barrier height is in rigorous agreement with the experimental I-V-T characteristics reported by Ouennoughi et al [38] on Mo/4H-SiC Schottky diodes.

Tung Model Validation (γ): The simulated carrier-channeling at low temperatures (Figure 8) and the barrier lowering via the "pinch-off" effect (Figure 9) accurately replicate the experimental extractions of Omar et al. [20] on Ni-Si/4H-SiC diodes, confirming the validity of our local potential fluctuation modeling.

Current-Voltage (I-V) Validation: To secure a final layer of quantitative validation, the room-temperature forward I-V characteristics simulated in Figure 10 show excellent visual and quantitative slope alignment with the experimental data from high-voltage (4.5 kV) Ni/4H-SiC diodes published by Bluet et al[24].

By aligning our MATLAB frameworks with these diverse experimental and numerical studies, we ensure that our comparative analysis accurately reflects the physical transport dynamics of real-world SiC devices.

Changes in the Manuscript:

Sections 3.1.1, 3.1.2, 3.1.3 (Pages 11,15 and 20 ): New comparative discussions have been integrated to explicitly link Figures 3, 6 and 8 with the experimental data of Benamara et al.[29] Ouennoughi et al[38] and Omar et al.[20]

Section 3.3 (Page 23): A dedicated text insertion has been made to highlight the quantitative agreement between Figure 10 and the experimental data of Bluet et al[24].

2-Insufficient Justification of Model Parameters

Key parameters such as interface state density (Nss), standard deviation (σ), and inhomogeneity parameter (γ) are central to the analysis. However, the manuscript does not clearly justify the selected parameter ranges or their physical relevance to real SiC devices. A more detailed explanation or literature support is necessary.

Author reponse :

We thank the reviewer for highlighting the need for a clearer justification of our parameters.

2.1 Justification of the standard deviation value (σ)

In the revised manuscript, we have set the standard deviation to σ = 0.09eV. This choice is not arbitrary but is based on a rigorous survey of experimental extractions from the literature for SiC Schottky diodes:

Ouennoughi et al.[38] reported a value of 0.08 eV for Mo/4H-SiC contacts.

Bluet et al.[24] obtained 0.09 eV for high-voltage Ni/4H-SiC diodes.

Toumi et al.[37] extracted 0.092 eV for similar SiC-based structures.

By selecting 0.09 eV as a representative mean value, our model gains physical credibility and aligns perfectly with the current state of experimental research. We believe this firmly addresses the concern regarding the physical relevance of our simulation parameters.

2.2. Justification of the Inhomogeneity Parameter Range (γ):

The selected range for the patch inhomogeneity parameter, 2×10-4 to 8× 10-4 cm2/3V1/3, is directly based on the values reported in foundational and experimental literature:

Tung et al. [19]: analyzed the Schottky barrier inhomogeneities across a γ range of 2×10-4 to 4× 10-4 cm2/3V1/3.

Omar et al. [20]: extracted the Schottky barrier parameters for γ values spanning from 2×10-3 to 7× 10-4 cm2/3V1/3 on Ni-Si/4H-SiC interfaces.

Our simulation range 2×10-4 to 8× 10-4 cm2/3V1/3 was established directly on this basis to cover these theoretical and experimental boundaries while accounting for slightly higher potential fluctuations.

2.3 Physical Justification of the Nss Values

We agree with the reviewer that the range of the interface state density must reflect real device characteristics. To ensure strict physical relevance to the studied material, the selected range for our Nss analysis (5×1011 to 5×1013 cm-2 eV-1) has been validated against the experimental work of Khanna et al.[32], who specifically investigated metal/4H-SiC Schottky interfaces and Benamara et al.[29].

Khanna et al. reported extracted Nss values in the range of 2×1012 to 6.5×1012 cm-2 eV-1. And Benamara et al., who worked on the Ni/6H-SiC diode, reported a reduction in the interface state density Nss from 1.2×1013 to 6×1012 cm−2eV−1. Our selected range directly encompasses these experimental values.

Changes in the Manuscript:

Section 3.1.2 (page 15): A new paragraph has been added to justify the choice of σ = 0.09 eV by referencing the experimental works of Ouennoughi et al.[37], Bluet et al.[24], and Toumi et al [36].

Section 3.2 (page 19) : The text has been updated to explicitly specify that our simulation range is built upon the respective ranges of Tung et al.[19] and Omar et al.[20].

Section 3.1.1 (page 13) : The text has been updated to explicitly justify the selected Nss range by referencing the experimental boundaries established by Khanna et al.[32] for 4H-SiC structures and Benamara et al. [29].

3-Limited Novelty in Model Comparison

The three models (Cowley and Sze, Werner, and Tung) are well-established in the literature. The manuscript should more clearly highlight the novelty of this comparative study, particularly how it advances beyond existing reviews or prior comparative works.

Author reponse:

We completely understand the reviewer's concern regarding the well-established nature of the individual models. However, we would like to clarify that the novelty of this work does not lie in the development of new analytical formulations, but rather in the simultaneous quantitative benchmark and unified mapping of these frameworks applied to SiC polytypes (4H, 6H, and 3C). While existing literature typically reviews these models qualitatively or applies a single model to fit specific experimental data, our study advances prior works in three distinct ways:

Unified Multi-Model Confrontation : We implement a side-by-side quantitative comparison of the interface-state model (Cowley-Sze), the macroscopic fluctuation model (Werner), and the microscopic patch model (Tung) under identical simulation boundaries. This directly identifies the exact temperature and voltage thresholds where each model loses its physical validity.

Polytype-Specific Sensitivity Mapping : We systematically correlate the variation of inhomogeneity parameters (σ, γ and Nss) with the physical properties of different SiC polytypes, providing a clear reference grid for device designers to know which model is most accurate depending on the specific polytype and defect density.

Transition Dynamics : Our framework clearly demonstrates how microscopic potential patches (Tung) macroscopically average out into a Gaussian distribution (Werner) as a function of temperature, bridging the gap between these two theories in a way that standard reviews do not quantify.

We have significantly revised the Introduction and Conclusion sections to explicitly highlight these contributions and clearly state how this study provides a predictive tool rather than a simple literature review

Changes in the Manuscript:

Section 1 (Introduction, page 3) : The paragraph preceding Figure 1. has been rewritten to explicitly frame the novelty, objectives, and distinct advantages of this comparative framework over existing literature.

Section 4 (Conclusion, page 33) : We have revised the conclusion to emphasize the practical engineering insights gained from this simultaneous multi-model evaluation.

4-Inadequate Physical Interpretation

Although the models are described, the discussion lacks depth in explaining the underlying physics of the observed trends. The manuscript would benefit from a more rigorous interpretation of how each parameter influences carrier transport and barrier formation in different SiC polytypes.

Author reponse :

We thank the reviewer for this insightful comment. We agree that strengthening the physical interpretation of the carrier transport mechanisms across the different SiC polytypes enhances the depth of the paper. In the revised manuscript, we have expanded the discussion sections to explicitly connect our simulation parameters (σ, γ and Nss) with the intrinsic semiconductor physics of 4H, 6H, and 3C-SiC:

Standard deviation (σ): We have clarified that the temperature dependence of the effective barrier height (Φ_B) is governed by the competitive trade-off between thermal energy and the standard deviation (σ). At low temperatures, carriers lack sufficient energy to surmount the nominal barrier and are forced to flow through localized patches with lower potential energy. This effect is more pronounced in wider bandgap polytypes (4H-SiC, Eg = 3.26 eV) compared to lower bandgap polytypes (3C-SiC, Eg = 2.3 eV), as the relative magnitude of potential fluctuations impacts carrier distribution more severely when the ideal barrier height is larger [34][35] [36].

inhomogeneity parameter (γ): We have added a comprehensive explanation of the pinch-off effect dictated by the inhomogeneity parameter γ. When γ increases, thelateral electric field arising from the surrounding high-barrier regions strongly interacts with the low-barrier patches. This electrostatic interaction modulates the potential profile, altering the effective transmission coefficient of the carriers and deviating the transport from the pure thermionic emission (TE) theory [8][20][41].

Interface states (Nss): We have enriched the text to discuss how the variations in Nss across the polytypes directly influence the degree of Fermi-level pinning. Higher calculated Nss values signify a greater screen of the metal work function by the interface traps, which severely limits the control of the barrier formation by the choice of the contact metal [6].

Changes in the Manuscript:

Sections 3.1.1, 3.1.2, and 3.1.3 (Pages 11,14 ,18,19) : Detailed paragraphs containing these physical interpretations and transport dynamics have been integrated to accompany each respective simulation curve.

5-Absence of Temperature-Dependent Analysis

Schottky barrier inhomogeneity is strongly temperature dependent, especially in SiC-based power devices. The manuscript does not consider temperature effects, which is a significant limitation. Including temperature-dependent simulations would greatly strengthen the study.

Author reponse :

We thank the reviewer for this valuable comment. To make the temperature-dependent analysis more explicit and easier to identify, a new section entitled “Comparative Temperature-Dependent Analysis” has been added in the revised manuscript. This section provides a dedicated discussion and a summary table highlighting the influence of temperature on the effective Schottky barrier height in the Cowley–Sze, Werner, and Tung models.In addition, we would like to clarify that temperature-dependent simulations were already included in the original manuscript. Specifically, Figures 3, 4, 6, and 8 present the variation of the interface state density and effective Schottky barrier height as a function of temperature, while Figures 13–15 show the corresponding I–V characteristics at 100 K, 300 K, and 500 K for all three SiC polytypes.

Model Temperature dependence of effective SBH Physical origin

Cowley and Sze Slight increase for Pt/3C-SiC and Ni/4H-SiC; decrease for Ti/6H-SiC Variation of interface-state pinning and bandgap

Werner Monotonic increase Reduced dominance of low-barrier regions

Tung Decrease from 100 to 300 K, then saturation Activation of localized low-barrier patches

Changes in the Manuscript:

An additional section (Section 3.1.4, page 21) was dedicated to the role of temperature and its effect on the three inhomogeneous models, including the addition of a comparative table (Table 2).

6-Comparison Between SiC Polytypes Needs Strengthening

The conclusion that all three SiC polytypes show similar trends is not sufficiently supported with detailed quantitative comparison. The authors should provide clearer comparative plots, tabulated results, or normalized analysis to substantiate this claim.

Author reponse

We thank the reviewer for this valuable comment. To provide a clearer and more quantitative comparison, we have added Table 3, entitled “Quantitative Comparison of Forward Current Density at 1.5 V for the Three Inhomogeneity Models and SiC Polytypes at Different Temperatures.” This table summarizes the forward current density values at 1.5 V for all three SiC polytypes (3C-SiC, 4H-SiC, and 6H-SiC) at 100 K, 300 K, and 500 K. The added quantitative results show that, although significant differences exist in the absolute current-density values, all three SiC polytypes exhibit a consistent thermally activated behavior within each inhomogeneity model. In particular, the Werner and Tung models predict a progressive increase in forward current with temperature for all investigated polytypes. These results confirm that the predicted electrical behavior is influenced more strongly by the underlying inhomogeneity model than by the SiC polytype itself

Model Polytype Forward Current density at 1.5 V and 100K (A /cm2) Forward Current density at 1.5 V and 300K (A /cm2) Forward Current density at 1.5 V and 500K (A /cm2)

Cowley–Sze 3C-SiC 1,8×10-10 7×10-6 4×10-2

Cowley–Sze 4H-SiC 1,6×10-10 6×10-10 4×10-2

Cowley–Sze 6H-SiC 2×10-2 11×10-2 24×10-2

Werner 3C-SiC 1×10-3 4×10-2 0,16

Werner 4H-SiC 1,53×10-10 3×10-3 4×10-2

Werner 6H-SiC 19×10-2 2×10-1 54×10-1

Tung 3C-SiC 1×10-3 4×10-2 0,18

Tung 4H-SiC 1,6×10-10 7×10-3 4×10-2

Tung 6H-SiC 26×10-2 32×10-2 5×10-1

Changes in the Manuscript:

Sections 3.3 (Page 32) : We have added Table 3, which presents a comparison of the forward current density values for the three inhomogeneity models.

7-Practical Device Implications Are Underdeveloped

While the manuscript mentions applications in high-temperature power devices, the discussion does not adequately connect the modeling results to real device design considerations (e.g., contact engineering, reliability, leakage current control). This aspect should be expanded.

Author reponse :

Thank you for this valuable comment. In response, we have added a new subsection entitled “Practical Device Implications” in the Discussion section, immediately before the Conclusion. This subsection expands the connection between the modeling results and practical design considerations for high-temperature SiC power devices.

The added discussion explains how the choice of transport model affects the predicted Schottky barrier height and current transport characteristics, and how these differences directly influence key device par

Attachment

Submitted filename: reponse to reviewers.docx

pone.0355480.s004.docx (39.8KB, docx)

Decision Letter 1

Latha Marasamy

22 Jul 2026

Comparison of Inhomogeneous Schottky Barrier Modeling Approaches in SiC Polytypes

PONE-D-26-11447R1

Dear Dr. Mustapha Habib,

We’re pleased to inform you that your manuscript has been judged scientifically suitable for publication and will be formally accepted for publication once it meets all outstanding technical requirements.

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Latha Marasamy, Ph.D

Academic Editor

PLOS One

Additional Editor Comments (optional):

Reviewers' comments:

Reviewer's Responses to Questions

Comments to the Author

Reviewer #2: All comments have been addressed

Reviewer #3: All comments have been addressed

**********

2. Is the manuscript technically sound, and do the data support the conclusions??>

Reviewer #2: Yes

Reviewer #3: Partly

**********

3. Has the statistical analysis been performed appropriately and rigorously? -->?>

Reviewer #2: I Don't Know

Reviewer #3: Yes

**********

4. Have the authors made all data underlying the findings in their manuscript fully available??>

The PLOS Data policy

Reviewer #2: Yes

Reviewer #3: Yes

**********

5. Is the manuscript presented in an intelligible fashion and written in standard English??>

Reviewer #2: Yes

Reviewer #3: Yes

**********

Reviewer #2: (No Response)

Reviewer #3: (No Response)

**********

what does this mean?). If published, this will include your full peer review and any attached files.

If you choose “no”, your identity will remain anonymous but your review may still be made public.

Do you want your identity to be public for this peer review?  For information about this choice, including consent withdrawal, please see our Privacy Policy

Reviewer #2: No

Reviewer #3: No

**********

Acceptance letter

Latha Marasamy

PONE-D-26-11447R1

PLOS One

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Associated Data

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    Supplementary Materials

    S1 File. MATLAB simulation code.

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    Data Availability Statement

    All relevant data and MATLAB simulation files supporting the findings of this study are fully available within the paper and its Supporting Information files.


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