Cr2Te2
MatHub2d-1766-Cr2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-17.254 |
| Free energy / atom (eV) |
-4.314 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.635 | 3.635 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.679 | 3.679 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.059 eV |
| Vacuum level |
2.480 eV |
| VBM |
-2.060 eV |
| CBM |
-2.059 eV |
| Work function |
4.540 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.059 eV |
| Vacuum level |
2.480 eV |
| VBM |
-2.060 eV |
| CBM |
-2.059 eV |
| Work function |
4.540 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
51.985 |
46.098 |
0.000 |
| yy |
46.098 |
51.985 |
0.000 |
| xy |
0.000 |
0.000 |
10.354 |
| Phonon mode at Γ point (THz) |
| -0.011 |
| -0.011 |
| 0.000 |
| 1.388 |
| 1.388 |
| 4.862 |
| 5.942 |
| 5.942 |
| 6.336 |
| 6.336 |
| 9.039 |
| 9.432 |
| Property |
Value |
| from where |
c2db-747 |
