. 2022 Jan 15;4(2):850–855. doi: 10.1021/acsaelm.1c01214

Table 2. Electronic (e₁₁^elc) and Ionic (e₁₁) Parts of the Total Piezoelectric Stress Constant e₁₁^a and Born Effective Charge Z₁₁^b^,^c.

e₁₁^elc

e₁₁^ion

e₁₁

Z₁₁(M)

Z₁₁(X)

1H-MoS₂

315.000

56.050

371.050

–1.006

0.503

–0.037

0.018

1H-VS₂(FM)^d

379.025

–80.925

298.100

1.359

–0.680

–0.038

0.021

1H-LaBr₂(FM)^d

111.175

–205.350

–94.175

2.540

–1.269

–0.069

0.035

In 2D piezoelectric unit, pC/m.

M = Mo, V, and La and X = S and Br in |e|, where e is the charge of an electron.

Here, Inline graphic represents the change of the position of the atoms along the a-direction under a strain along the a-direction (η₁).

Both 1H-VS₂ and 1H-LaBr₂ monolayers are in the ferromagnetic (FM) state.

Table 2. Electronic (e11elc) and Ionic (e11) Parts of the Total Piezoelectric Stress Constant e11a and Born Effective Charge Z11b,c.