Ir2Te2
MatHub2d-1804-Ir2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-18.543 |
| Free energy / atom (eV) |
-4.636 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.053 | 4.053 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.036 | 4.036 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.507 eV |
| Vacuum level |
2.121 eV |
| VBM |
-1.508 eV |
| CBM |
-1.504 eV |
| Work function |
3.628 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.507 eV |
| Vacuum level |
2.121 eV |
| VBM |
-1.508 eV |
| CBM |
-1.504 eV |
| Work function |
3.628 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
78.556 |
42.899 |
0.000 |
| yy |
42.899 |
78.556 |
0.000 |
| xy |
0.000 |
0.000 |
49.333 |
| Phonon mode at Γ point (THz) |
| -0.001 |
| -0.001 |
| 0.001 |
| 1.435 |
| 1.435 |
| 3.475 |
| 5.319 |
| 5.319 |
| 5.988 |
| 6.012 |
| 6.012 |
| 6.338 |
| Property |
Value |
| from where |
c2db-762 |
