Pt1Te2
MatHub2d-979-Pt1Te2
| Property | Value |
|---|---|
| Space group | (164, 'P-3m1') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 0.61 |
| Free energy (eV) | -11.386 |
| Free energy / atom (eV) | -3.795 |
| a, b, c (Å): | 3.994 | 3.994 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 3.998 | 3.998 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Pt1Te2
Pt1Te2
| Property | Value |
|---|---|
| Band gap | 0.24 eV |
| E-fermi | -1.911 eV |
| VBM | -2.028 eV |
| CBM | -1.791 eV |
| Free energy (eV) | -11.900 |
| Free energy / atom (eV) | -3.967 |
Pt1Te2
| Property | Value |
|---|---|
| Band gap | 0.61 eV |
| E-fermi | -2.128 eV |
| Vacuum level | 2.223 eV |
| VBM | -2.403 eV |
| CBM | -1.788 eV |
| Work function | 4.351 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 66.110 | 18.685 | -0.000 |
| yy | 18.685 | 66.110 | -0.000 |
| xy | -0.000 | -0.000 | 23.712 |
| Phonon mode at Γ point (THz) |
|---|
| -0.002 |
| 0.000 |
| 0.000 |
| 3.837 |
| 3.837 |
| 4.556 |
| 5.285 |
| 5.285 |
| 5.327 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | JVASP-747 |