Nb2Te2
MatHub2d-1824-Nb2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-23.935 |
| Free energy / atom (eV) |
-5.984 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.940 | 3.940 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.973 | 3.973 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.326 eV |
| Vacuum level |
3.029 eV |
| VBM |
-2.327 eV |
| CBM |
-2.326 eV |
| Work function |
5.355 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.326 eV |
| Vacuum level |
3.029 eV |
| VBM |
-2.327 eV |
| CBM |
-2.326 eV |
| Work function |
5.355 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
55.613 |
54.651 |
0.000 |
| yy |
54.651 |
55.613 |
0.000 |
| xy |
0.000 |
0.000 |
-8.091 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| -0.001 |
| -0.001 |
| 2.641 |
| 2.641 |
| 4.191 |
| 4.191 |
| 4.345 |
| 4.696 |
| 7.334 |
| 7.715 |
| 7.715 |
| Property |
Value |
| from where |
c2db-778 |
