Ga1Se1
MatHub2d-1777-Ga1Se1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-6.758 |
| Free energy / atom (eV) |
-3.379 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.732 | 3.732 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.713 | 3.713 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-4.056 eV |
| Vacuum level |
0.888 eV |
| VBM |
-4.056 eV |
| CBM |
-4.047 eV |
| Work function |
4.944 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-4.056 eV |
| Vacuum level |
0.888 eV |
| VBM |
-4.056 eV |
| CBM |
-4.047 eV |
| Work function |
4.944 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
57.430 |
20.283 |
-0.000 |
| yy |
20.283 |
57.430 |
0.000 |
| xy |
-0.000 |
0.000 |
16.901 |
| Phonon mode at Γ point (THz) |
| -0.024 |
| -0.013 |
| -0.013 |
| 2.449 |
| 4.006 |
| 4.006 |
| Property |
Value |
| from where |
c2db-1491 |
