Rh2Te2
MatHub2d-1869-Rh2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-15.487 |
| Free energy / atom (eV) |
-3.872 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.050 | 4.050 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.007 | 4.007 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.586 eV |
| Vacuum level |
2.252 eV |
| VBM |
-1.590 eV |
| CBM |
-1.581 eV |
| Work function |
3.838 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.586 eV |
| Vacuum level |
2.252 eV |
| VBM |
-1.590 eV |
| CBM |
-1.581 eV |
| Work function |
3.838 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
45.648 |
22.579 |
0.000 |
| yy |
22.579 |
45.648 |
-0.000 |
| xy |
0.000 |
-0.000 |
39.710 |
| Phonon mode at Γ point (THz) |
| -0.001 |
| -0.001 |
| -0.001 |
| 2.058 |
| 2.058 |
| 4.638 |
| 5.305 |
| 5.735 |
| 5.735 |
| 6.633 |
| 7.202 |
| 7.202 |
| Property |
Value |
| from where |
c2db-805 |
