Te2Ti2
MatHub2d-1906-Te2Ti2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-18.360 |
| Free energy / atom (eV) |
-4.590 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.263 | 4.263 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.454 | 4.454 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.279 eV |
| Vacuum level |
2.133 eV |
| VBM |
-2.279 eV |
| CBM |
-2.279 eV |
| Work function |
4.412 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.279 eV |
| Vacuum level |
2.133 eV |
| VBM |
-2.279 eV |
| CBM |
-2.279 eV |
| Work function |
4.412 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
19.005 |
16.595 |
0.000 |
| yy |
16.595 |
19.005 |
0.000 |
| xy |
0.000 |
0.000 |
7.032 |
| Phonon mode at Γ point (THz) |
| -0.003 |
| -0.003 |
| -0.001 |
| 2.232 |
| 2.232 |
| 3.150 |
| 3.262 |
| 5.257 |
| 5.257 |
| 5.707 |
| 5.707 |
| 6.340 |
| Property |
Value |
| from where |
c2db-821 |
