Sc2Te2
MatHub2d-1889-Sc2Te2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-19.577 |
| Free energy / atom (eV) |
-4.894 |
Lattice Parameters (basic)
| a, b, c (Å): | 4.862 | 4.862 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.894 | 4.894 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.119 eV |
| Vacuum level |
1.808 eV |
| VBM |
-2.120 eV |
| CBM |
-2.119 eV |
| Work function |
3.928 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-2.119 eV |
| Vacuum level |
1.808 eV |
| VBM |
-2.120 eV |
| CBM |
-2.119 eV |
| Work function |
3.928 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
17.639 |
13.599 |
0.000 |
| yy |
13.599 |
17.639 |
0.000 |
| xy |
0.000 |
0.000 |
6.011 |
| Phonon mode at Γ point (THz) |
| -0.003 |
| -0.003 |
| -0.002 |
| 2.444 |
| 2.444 |
| 3.056 |
| 4.618 |
| 5.852 |
| 6.178 |
| 6.178 |
| 6.878 |
| 6.878 |
| Property |
Value |
| from where |
c2db-813 |
