Pt2Te2
MatHub2d-1863-Pt2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-14.475 |
| Free energy / atom (eV) |
-3.619 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.987 | 3.987 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.923 | 3.923 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.767 eV |
| Vacuum level |
2.749 eV |
| VBM |
-1.768 eV |
| CBM |
-1.767 eV |
| Work function |
4.517 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.767 eV |
| Vacuum level |
2.749 eV |
| VBM |
-1.768 eV |
| CBM |
-1.767 eV |
| Work function |
4.517 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
-40.245 |
107.142 |
0.000 |
| yy |
107.142 |
-40.245 |
0.000 |
| xy |
0.000 |
0.000 |
20.227 |
| Phonon mode at Γ point (THz) |
| 0.000 |
| 0.001 |
| 0.001 |
| 0.499 |
| 2.604 |
| 2.604 |
| 3.313 |
| 3.313 |
| 4.484 |
| 4.979 |
| 5.271 |
| 5.271 |
| Property |
Value |
| from where |
c2db-796 |
