Ge2H2
MatHub2d-640-Ge2H2
| Property | Value |
|---|---|
| Space group | (164, 'P-3m1') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 1.02 |
| Free energy (eV) | -15.414 |
| Free energy / atom (eV) | -3.854 |
| a, b, c (Å): | 4.077 | 4.077 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 4.071 | 4.071 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Ge2H2
Ge2H2
| Property | Value |
|---|---|
| Band gap | 0.93 eV |
| E-fermi | -3.541 eV |
| VBM | -3.805 eV |
| CBM | -2.879 eV |
| Free energy (eV) | -15.432 |
| Free energy / atom (eV) | -3.858 |
Ge2H2
| Property | Value |
|---|---|
| Band gap | 1.02 eV |
| E-fermi | -3.577 eV |
| Vacuum level | 1.000 eV |
| VBM | -3.892 eV |
| CBM | -2.872 eV |
| Work function | 4.577 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 47.138 | 10.373 | -0.000 |
| yy | 10.373 | 47.138 | 0.000 |
| xy | -0.000 | 0.000 | 18.383 |
| Phonon mode at Γ point (THz) |
|---|
| -0.038 |
| -0.038 |
| -0.020 |
| 6.609 |
| 8.439 |
| 8.439 |
| 13.878 |
| 13.878 |
| 20.124 |
| 20.124 |
| 59.966 |
| 60.733 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-1964 |