Ga2Te2
MatHub2d-623-Ga2Te2
| Property | Value |
|---|---|
| Space group | (187, 'P-6m2') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 1.45 |
| Free energy (eV) | -13.488 |
| Free energy / atom (eV) | -3.372 |
| a, b, c (Å): | 4.140 | 4.140 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 4.125 | 4.125 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Ga2Te2
Ga2Te2
| Property | Value |
|---|---|
| Band gap | 1.33 eV |
| E-fermi | -2.445 eV |
| VBM | -2.688 eV |
| CBM | -1.353 eV |
| Free energy (eV) | -13.693 |
| Free energy / atom (eV) | -3.423 |
Ga2Te2
| Property | Value |
|---|---|
| Band gap | 1.45 eV |
| E-fermi | -2.526 eV |
| Vacuum level | 2.456 eV |
| VBM | -2.794 eV |
| CBM | -1.348 eV |
| Work function | 4.982 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 56.523 | 12.557 | -0.000 |
| yy | 12.557 | 56.523 | 0.000 |
| xy | -0.000 | 0.000 | 21.983 |
| Phonon mode at Γ point (THz) |
|---|
| -0.004 |
| -0.002 |
| -0.002 |
| 1.301 |
| 1.301 |
| 2.804 |
| 5.053 |
| 5.053 |
| 5.236 |
| 5.236 |
| 5.785 |
| 8.317 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | sz.tsinghua-32 |