Cr1Te2
MatHub2d-560-Cr1Te2
| Property |
Value |
| Space group |
(164, 'P-3m1') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-13.965 |
| Free energy / atom (eV) |
-4.655 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.689 | 3.689 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.724 | 3.724 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.527 eV |
| Vacuum level |
2.649 eV |
| VBM |
-2.533 eV |
| CBM |
-2.518 eV |
| Work function |
5.176 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.527 eV |
| Vacuum level |
2.649 eV |
| VBM |
-2.533 eV |
| CBM |
-2.518 eV |
| Work function |
5.176 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
40.017 |
9.003 |
-0.000 |
| yy |
9.003 |
40.017 |
0.000 |
| xy |
-0.000 |
0.000 |
15.507 |
| Phonon mode at Γ point (THz) |
| -0.009 |
| -0.008 |
| -0.008 |
| 2.406 |
| 2.406 |
| 3.427 |
| 3.427 |
| 3.516 |
| 6.846 |
| Property |
Value |
| from where |
c2db-470 |
