Ni2Te2
MatHub2d-1829-Ni2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-11.639 |
| Free energy / atom (eV) |
-2.910 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.651 | 3.651 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.585 | 3.585 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.356 eV |
| Vacuum level |
2.768 eV |
| VBM |
-2.356 eV |
| CBM |
-2.355 eV |
| Work function |
5.124 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.356 eV |
| Vacuum level |
2.768 eV |
| VBM |
-2.356 eV |
| CBM |
-2.355 eV |
| Work function |
5.124 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
33.129 |
32.519 |
0.000 |
| yy |
32.519 |
33.129 |
0.000 |
| xy |
0.000 |
0.000 |
19.204 |
| Phonon mode at Γ point (THz) |
| -0.018 |
| -0.018 |
| -0.001 |
| 2.683 |
| 2.683 |
| 4.864 |
| 4.986 |
| 5.282 |
| 5.282 |
| 7.298 |
| 8.161 |
| 8.161 |
| Property |
Value |
| from where |
c2db-783 |
