Hf2Te2
MatHub2d-1788-Hf2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-27.204 |
| Free energy / atom (eV) |
-6.801 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.428 | 4.428 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.400 | 4.400 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.193 eV |
| Vacuum level |
1.817 eV |
| VBM |
-2.193 eV |
| CBM |
-2.192 eV |
| Work function |
4.010 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.193 eV |
| Vacuum level |
1.817 eV |
| VBM |
-2.193 eV |
| CBM |
-2.192 eV |
| Work function |
4.010 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
-262.242 |
303.227 |
0.000 |
| yy |
303.227 |
-262.242 |
0.000 |
| xy |
0.000 |
0.000 |
9.406 |
| Phonon mode at Γ point (THz) |
| -0.001 |
| -0.001 |
| -0.000 |
| 0.600 |
| 2.694 |
| 2.694 |
| 3.672 |
| 4.332 |
| 4.332 |
| 4.872 |
| 5.047 |
| 5.047 |
| Property |
Value |
| from where |
c2db-757 |
