Ge1Te1
MatHub2d-1781-Ge1Te1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-6.907 |
| Free energy / atom (eV) |
-3.453 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.059 | 4.059 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.063 | 4.063 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.375 eV |
| Vacuum level |
1.871 eV |
| VBM |
-3.376 eV |
| CBM |
-3.374 eV |
| Work function |
5.247 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.375 eV |
| Vacuum level |
1.871 eV |
| VBM |
-3.376 eV |
| CBM |
-3.374 eV |
| Work function |
5.247 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
28.989 |
23.494 |
0.000 |
| yy |
23.494 |
28.989 |
0.000 |
| xy |
0.000 |
0.000 |
11.838 |
| Phonon mode at Γ point (THz) |
| -2.681 |
| -2.681 |
| -2.402 |
| 0.039 |
| 0.039 |
| 0.083 |
| Property |
Value |
| from where |
c2db-1495 |
