Ru2Te2
MatHub2d-1872-Ru2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
|
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-18.080 |
| Free energy / atom (eV) |
-4.520 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.115 | 4.115 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.122 | 4.122 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.930 eV |
| Vacuum level |
2.485 eV |
| VBM |
-1.932 eV |
| CBM |
-1.923 eV |
| Work function |
4.415 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.930 eV |
| Vacuum level |
2.485 eV |
| VBM |
-1.932 eV |
| CBM |
-1.923 eV |
| Work function |
4.415 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
48.826 |
25.965 |
0.000 |
| yy |
25.965 |
48.826 |
0.000 |
| xy |
0.000 |
0.000 |
38.496 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| -0.002 |
| -0.002 |
| 3.076 |
| 3.076 |
| 5.306 |
| 5.848 |
| 6.667 |
| 6.667 |
| 7.451 |
| 7.451 |
| 7.535 |
| Property |
Value |
| from where |
c2db-809 |
