Ga2Te2
MatHub2d-624-Ga2Te2
| Property | Value |
|---|---|
| Space group | (164, 'P-3m1') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 1.41 |
| Free energy (eV) | -13.476 |
| Free energy / atom (eV) | -3.369 |
| a, b, c (Å): | 4.153 | 4.153 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 4.133 | 4.133 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Ga2Te2
Ga2Te2
| Property | Value |
|---|---|
| Band gap | 1.32 eV |
| E-fermi | -2.458 eV |
| VBM | -2.685 eV |
| CBM | -1.360 eV |
| Free energy (eV) | -13.684 |
| Free energy / atom (eV) | -3.421 |
Ga2Te2
| Property | Value |
|---|---|
| Band gap | 1.41 eV |
| E-fermi | -2.553 eV |
| Vacuum level | 2.448 eV |
| VBM | -2.772 eV |
| CBM | -1.363 eV |
| Work function | 5.001 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 54.377 | 12.621 | 0.000 |
| yy | 12.621 | 54.377 | -0.000 |
| xy | 0.000 | -0.000 | 20.878 |
| Phonon mode at Γ point (THz) |
|---|
| -0.004 |
| -0.004 |
| -0.004 |
| 1.327 |
| 1.327 |
| 2.754 |
| 5.035 |
| 5.035 |
| 5.217 |
| 5.217 |
| 5.757 |
| 8.374 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | sz.tsinghua-33 |