Bi2In2
MatHub2d-1737-Bi2In2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-12.228 |
| Free energy / atom (eV) |
-3.057 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.689 | 4.689 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.701 | 4.701 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.085 eV |
| Vacuum level |
1.960 eV |
| VBM |
-2.090 eV |
| CBM |
-2.084 eV |
| Work function |
4.045 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.085 eV |
| Vacuum level |
1.960 eV |
| VBM |
-2.090 eV |
| CBM |
-2.084 eV |
| Work function |
4.045 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
17.175 |
21.235 |
0.000 |
| yy |
21.235 |
17.175 |
0.000 |
| xy |
0.000 |
0.000 |
6.291 |
| Phonon mode at Γ point (THz) |
| -0.005 |
| -0.005 |
| -0.001 |
| 0.694 |
| 0.694 |
| 2.472 |
| 2.632 |
| 2.632 |
| 2.893 |
| 3.763 |
| 3.763 |
| 4.445 |
| Property |
Value |
| from where |
JVASP-31353 |
