Te2V2
MatHub2d-1907-Te2V2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-19.783 |
| Free energy / atom (eV) |
-4.946 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.708 | 3.708 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.944 | 3.944 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.098 eV |
| Vacuum level |
2.505 eV |
| VBM |
-2.099 eV |
| CBM |
-2.098 eV |
| Work function |
4.603 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.098 eV |
| Vacuum level |
2.505 eV |
| VBM |
-2.099 eV |
| CBM |
-2.098 eV |
| Work function |
4.603 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
-0.548 |
29.755 |
0.000 |
| yy |
29.755 |
-0.548 |
-0.000 |
| xy |
0.000 |
-0.000 |
15.689 |
| Phonon mode at Γ point (THz) |
| -0.006 |
| -0.006 |
| -0.000 |
| 2.271 |
| 2.271 |
| 3.893 |
| 4.271 |
| 5.732 |
| 5.732 |
| 6.950 |
| 6.950 |
| 8.124 |
| Property |
Value |
| from where |
c2db-828 |
