Ga1Te1
MatHub2d-1778-Ga1Te1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-5.995 |
| Free energy / atom (eV) |
-2.998 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.997 | 3.997 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.992 | 3.992 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.866 eV |
| Vacuum level |
1.243 eV |
| VBM |
-3.868 eV |
| CBM |
-3.865 eV |
| Work function |
5.109 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.866 eV |
| Vacuum level |
1.243 eV |
| VBM |
-3.868 eV |
| CBM |
-3.865 eV |
| Work function |
5.109 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
46.267 |
17.766 |
0.000 |
| yy |
17.766 |
46.267 |
0.000 |
| xy |
0.000 |
0.000 |
19.028 |
| Phonon mode at Γ point (THz) |
| -0.042 |
| -0.010 |
| -0.010 |
| 1.649 |
| 3.578 |
| 3.578 |
| Property |
Value |
| from where |
c2db-1492 |
