Hf3Te2
MatHub2d-1789-Hf3Te2
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-39.033 |
| Free energy / atom (eV) |
-7.807 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.698 | 3.698 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.705 | 3.705 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.909 eV |
| Vacuum level |
3.067 eV |
| VBM |
-0.910 eV |
| CBM |
-0.908 eV |
| Work function |
3.976 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.909 eV |
| Vacuum level |
3.067 eV |
| VBM |
-0.910 eV |
| CBM |
-0.908 eV |
| Work function |
3.976 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
124.464 |
68.279 |
0.000 |
| yy |
68.279 |
124.464 |
0.000 |
| xy |
0.000 |
0.000 |
75.603 |
| Phonon mode at Γ point (THz) |
| -0.001 |
| -0.001 |
| -0.001 |
| 1.607 |
| 1.607 |
| 2.593 |
| 2.907 |
| 2.907 |
| 4.125 |
| 4.257 |
| 4.585 |
| 4.585 |
| 4.670 |
| 4.670 |
| 4.982 |
| Property |
Value |
| from where |
JVASP-6442 |
