Re2Te2
MatHub2d-1866-Re2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-23.610 |
| Free energy / atom (eV) |
-5.903 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.948 | 3.948 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.972 | 3.972 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.083 eV |
| Vacuum level |
2.390 eV |
| VBM |
-1.088 eV |
| CBM |
-1.082 eV |
| Work function |
3.474 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.083 eV |
| Vacuum level |
2.390 eV |
| VBM |
-1.088 eV |
| CBM |
-1.082 eV |
| Work function |
3.474 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
88.328 |
45.597 |
0.000 |
| yy |
45.597 |
88.328 |
0.000 |
| xy |
0.000 |
0.000 |
-19.256 |
| Phonon mode at Γ point (THz) |
| -0.689 |
| -0.689 |
| -0.002 |
| -0.002 |
| 0.001 |
| 4.956 |
| 4.956 |
| 5.023 |
| 5.023 |
| 5.326 |
| 5.431 |
| 6.752 |
| Property |
Value |
| from where |
c2db-800 |
