Fe2Te6
MatHub2d-1475-Fe2Te6
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-28.983 |
| Free energy / atom (eV) |
-3.623 |
Lattice Parameters (basic)
| a, b, c (Å): | 6.146 | 3.488 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 5.854 | 3.563 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.011 eV |
| Vacuum level |
3.905 eV |
| VBM |
-1.011 eV |
| CBM |
-1.010 eV |
| Work function |
4.916 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-1.011 eV |
| Vacuum level |
3.905 eV |
| VBM |
-1.011 eV |
| CBM |
-1.010 eV |
| Work function |
4.916 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
76.060 |
21.436 |
0.000 |
| yy |
21.436 |
12.588 |
0.000 |
| xy |
0.000 |
0.000 |
8.177 |
| Phonon mode at Γ point (THz) |
| -1.865 |
| -1.572 |
| -1.011 |
| -0.943 |
| -0.083 |
| -0.058 |
| 0.017 |
| 0.695 |
| 0.733 |
| 0.901 |
| 1.048 |
| 1.227 |
| 1.403 |
| 1.847 |
| 1.896 |
| 1.897 |
| 2.418 |
| 2.465 |
| 2.654 |
| 2.830 |
| 3.071 |
| 3.426 |
| 3.733 |
| 3.823 |
| Property |
Value |
| from where |
c2db-1738 |
