Rh2Te4
MatHub2d-1680-Rh2Te4
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-22.901 |
| Free energy / atom (eV) |
-3.817 |
Lattice Parameters (basic)
| a, b, c (Å): | 6.459 | 3.837 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 6.507 | 3.718 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.508 eV |
| Vacuum level |
2.520 eV |
| VBM |
-2.510 eV |
| CBM |
-2.507 eV |
| Work function |
5.028 eV |
| Direct gap |
Yes |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.508 eV |
| Vacuum level |
2.520 eV |
| VBM |
-2.510 eV |
| CBM |
-2.507 eV |
| Work function |
5.028 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
36.728 |
15.267 |
-0.000 |
| yy |
15.267 |
36.488 |
-0.000 |
| xy |
-0.000 |
-0.000 |
11.342 |
| Phonon mode at Γ point (THz) |
| Property |
Value |
| from where |
c2db-1921 |
