Bi2Te2
MatHub2d-130-Bi2Te2
| Property |
Value |
| Space group |
(187, 'P-6m2') |
| Crystal system |
hexagonal |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-13.499 |
| Free energy / atom (eV) |
-3.375 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.162 | 4.162 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.161 | 4.161 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.909 eV |
| Vacuum level |
3.286 eV |
| VBM |
-0.909 eV |
| CBM |
-0.909 eV |
| Work function |
4.195 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.909 eV |
| Vacuum level |
3.286 eV |
| VBM |
-0.909 eV |
| CBM |
-0.909 eV |
| Work function |
4.195 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
20.618 |
6.987 |
0.000 |
| yy |
6.987 |
20.618 |
0.000 |
| xy |
0.000 |
0.000 |
6.816 |
| Phonon mode at Γ point (THz) |
| -0.258 |
| -0.258 |
| -0.002 |
| 0.001 |
| 0.001 |
| 1.570 |
| 2.540 |
| 2.540 |
| 2.755 |
| 2.755 |
| 4.291 |
| 4.322 |
| Property |
Value |
| from where |
c2db-1609 |
