Co2Te2
MatHub2d-549-Co2Te2
| Property |
Value |
| Space group |
(187, 'P-6m2') |
| Crystal system |
hexagonal |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.05 |
| Free energy (eV) |
-13.316 |
| Free energy / atom (eV) |
-3.329 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.051 | 4.051 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.522 | 4.522 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.05 eV |
| E-fermi |
-2.149 eV |
| Vacuum level |
2.123 eV |
| VBM |
-2.180 eV |
| CBM |
-2.134 eV |
| Work function |
4.272 eV |
| Direct gap |
Yes |
| Property |
Value |
| Band gap |
0.05 eV |
| E-fermi |
-2.149 eV |
| Vacuum level |
2.123 eV |
| VBM |
-2.180 eV |
| CBM |
-2.134 eV |
| Work function |
4.272 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
34.417 |
16.016 |
-0.000 |
| yy |
16.016 |
34.417 |
0.000 |
| xy |
-0.000 |
0.000 |
9.201 |
| Phonon mode at Γ point (THz) |
| -0.387 |
| -0.006 |
| -0.006 |
| -0.004 |
| 1.389 |
| 1.389 |
| 2.830 |
| 3.159 |
| 4.382 |
| 4.382 |
| 5.239 |
| 5.239 |
| Property |
Value |
| from where |
c2db-1613 |
