Mn2Te2
MatHub2d-1815-Mn2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-15.591 |
| Free energy / atom (eV) |
-3.898 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.716 | 3.716 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.663 | 4.663 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.112 eV |
| Vacuum level |
1.303 eV |
| VBM |
-3.115 eV |
| CBM |
-3.112 eV |
| Work function |
4.416 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-3.112 eV |
| Vacuum level |
1.303 eV |
| VBM |
-3.115 eV |
| CBM |
-3.112 eV |
| Work function |
4.416 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
26.521 |
-0.283 |
0.000 |
| yy |
-0.283 |
26.521 |
0.000 |
| xy |
0.000 |
0.000 |
10.599 |
| Phonon mode at Γ point (THz) |
| -0.017 |
| -0.017 |
| -0.013 |
| 2.513 |
| 2.513 |
| 3.148 |
| 3.852 |
| 3.852 |
| 4.537 |
| 4.786 |
| 4.786 |
| 5.582 |
| Property |
Value |
| from where |
c2db-769 |
