Mn2Te4
MatHub2d-1615-Mn2Te4
| Property |
Value |
| Space group |
(11, 'P2_1/m') |
| Crystal system |
rectangular |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-27.391 |
| Free energy / atom (eV) |
-4.565 |
Lattice Parameters (basic)
| a, b, c (Å): | 6.226 | 3.716 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 6.676 | 3.884 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.613 eV |
| Vacuum level |
2.439 eV |
| VBM |
-2.613 eV |
| CBM |
-2.613 eV |
| Work function |
5.052 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.613 eV |
| Vacuum level |
2.439 eV |
| VBM |
-2.613 eV |
| CBM |
-2.613 eV |
| Work function |
5.052 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
32.088 |
11.076 |
0.000 |
| yy |
11.076 |
31.644 |
0.000 |
| xy |
0.000 |
0.000 |
9.737 |
| Phonon mode at Γ point (THz) |
| -4.472 |
| -1.236 |
| -0.119 |
| -0.069 |
| -0.009 |
| 0.731 |
| 1.386 |
| 1.533 |
| 1.639 |
| 2.068 |
| 2.069 |
| 2.100 |
| 2.359 |
| 2.680 |
| 2.843 |
| 3.093 |
| 3.795 |
| 5.076 |
| Property |
Value |
| from where |
c2db-1881 |
