Rh2Te6
MatHub2d-1681-Rh2Te6
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.01 |
| Free energy (eV) |
-28.142 |
| Free energy / atom (eV) |
-3.518 |
Lattice Parameters (basic)
| a, b, c (Å): | 6.112 | 3.743 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 6.171 | 3.727 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.01 eV |
| E-fermi |
-0.841 eV |
| Vacuum level |
3.733 eV |
| VBM |
-0.844 eV |
| CBM |
-0.837 eV |
| Work function |
4.574 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.01 eV |
| E-fermi |
-0.841 eV |
| Vacuum level |
3.733 eV |
| VBM |
-0.844 eV |
| CBM |
-0.837 eV |
| Work function |
4.574 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
50.487 |
13.704 |
-0.000 |
| yy |
13.704 |
43.832 |
0.000 |
| xy |
-0.000 |
0.000 |
2.712 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| -0.001 |
| 0.000 |
| 0.074 |
| 0.899 |
| 1.065 |
| 1.670 |
| 2.377 |
| 2.436 |
| 2.476 |
| 2.919 |
| 2.991 |
| 3.050 |
| 3.115 |
| 3.172 |
| 3.648 |
| 4.277 |
| 4.639 |
| 4.736 |
| 5.011 |
| 5.037 |
| 5.254 |
| 5.441 |
| 5.576 |
| Property |
Value |
| from where |
c2db-1786 |
