Te1Zn1
MatHub2d-1905-Te1Zn1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-3.549 |
| Free energy / atom (eV) |
-1.774 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.854 | 3.854 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.854 | 3.854 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-4.184 eV |
| Vacuum level |
1.029 eV |
| VBM |
-4.198 eV |
| CBM |
-4.175 eV |
| Work function |
5.214 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-4.184 eV |
| Vacuum level |
1.029 eV |
| VBM |
-4.198 eV |
| CBM |
-4.175 eV |
| Work function |
5.214 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
46.179 |
24.337 |
0.000 |
| yy |
24.337 |
46.179 |
0.000 |
| xy |
0.000 |
0.000 |
18.373 |
| Phonon mode at Γ point (THz) |
| -0.012 |
| -0.012 |
| -0.009 |
| 1.051 |
| 4.583 |
| 4.583 |
| Property |
Value |
| from where |
c2db-1517 |
