Sm2Te6
MatHub2d-1902-Sm2Te6
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-35.897 |
| Free energy / atom (eV) |
-4.487 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.377 | 4.377 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.373 | 4.373 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.147 eV |
| Vacuum level |
4.528 eV |
| VBM |
-0.154 eV |
| CBM |
-0.139 eV |
| Work function |
4.675 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.147 eV |
| Vacuum level |
4.528 eV |
| VBM |
-0.154 eV |
| CBM |
-0.139 eV |
| Work function |
4.675 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
116.877 |
75.767 |
0.000 |
| yy |
75.767 |
116.877 |
0.000 |
| xy |
0.000 |
0.000 |
62.930 |
| Phonon mode at Γ point (THz) |
| -0.002 |
| -0.002 |
| -0.001 |
| 0.757 |
| 0.757 |
| 1.465 |
| 1.470 |
| 1.470 |
| 1.835 |
| 1.835 |
| 2.412 |
| 2.415 |
| 2.711 |
| 3.201 |
| 3.480 |
| 3.480 |
| 3.511 |
| 3.653 |
| 3.653 |
| 3.865 |
| 4.407 |
| 4.407 |
| 4.413 |
| 4.413 |
| Property |
Value |
| from where |
JVASP-6415 |
