Re2Te6
MatHub2d-1675-Re2Te6
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-36.210 |
| Free energy / atom (eV) |
-4.526 |
Lattice Parameters (basic)
| a, b, c (Å): | 7.590 | 3.337 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 7.551 | 3.351 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.100 eV |
| Vacuum level |
3.149 eV |
| VBM |
-1.101 eV |
| CBM |
-1.100 eV |
| Work function |
4.249 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.100 eV |
| Vacuum level |
3.149 eV |
| VBM |
-1.101 eV |
| CBM |
-1.100 eV |
| Work function |
4.249 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
9.290 |
7.085 |
0.000 |
| yy |
7.085 |
49.280 |
0.000 |
| xy |
0.000 |
0.000 |
4.636 |
| Phonon mode at Γ point (THz) |
| -0.071 |
| -0.041 |
| -0.039 |
| 0.825 |
| 1.340 |
| 1.597 |
| 1.902 |
| 2.227 |
| 2.378 |
| 2.657 |
| 2.762 |
| 2.852 |
| 2.923 |
| 2.933 |
| 3.237 |
| 3.824 |
| 4.471 |
| 4.588 |
| 4.644 |
| 4.656 |
| 5.043 |
| 5.049 |
| 5.497 |
| 5.539 |
| Property |
Value |
| from where |
c2db-1782 |
