Table 1.
The calculated EPC parameter λ, the first moment of Eliashberg function , square root of the average square phonon frequencies 1/2, logarithmic average frequency ωlog, DOS at Fermi level, and superconducting critical temperature Tc for MgP2H14, LiP2H14, BeP2H14, and NaP2H14 under pressure, Tc is obtained from solving the Allen-Dynes modified McMillan equation (herein, we default f1f2 = 1 when λ < 1) and isotropic Migdal Eliashberg equations, with the typical Coulomb pseudopotential μ∗ = 0.10
| System | P |
λ |
|
1/2 |
ωlog |
N(Ef) |
TcAD |
f1f2TcAD |
TcME |
Reference |
|---|---|---|---|---|---|---|---|---|---|---|
| (GPa) | (K) | (K) | (K) | (states/Ry/fu) | (K) | (K) | (K) | |||
| MgP2H14 | 280 | 1.65 | 1281 | 1481 | 1072 | 6.43 | 133 | 154 | 166 | this work |
| 350 | 1.12 | 1691 | 1870 | 1464 | 6.43 | 120 | 130 | – | this work | |
| 400 | 1.02 | 1840 | 2030 | 1578 | 6.54 | 114 | 122 | – | this work | |
| NaP2H14 | 400 | 1.45 | – | – | 1101 | 6.28 | 139 | – | 159 | Ref.10 |
| BeP2H14 | 400 | 1.13 | – | – | 978 | 5.73 | 90 | – | 99 | Ref.10 |
| LiP2H14 | 400 | 0.85 | – | – | 1494 | 4.96 | 84 | – | 90 | Ref.10 |
| 300 | 1.06 | – | – | 1350 | 5.48 | 112 | – | 125 | Ref.10 | |
| 230 | 1.69 | – | – | 956 | 6.08 | 143 | – | 169 | Ref.10 |