Cd1Se1
MatHub2d-1752-Cd1Se1
| Property |
Value |
| Space group |
(123, 'P4/mmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.01 |
| Free energy (eV) |
-4.273 |
| Free energy / atom (eV) |
-2.137 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.834 | 3.834 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.845 | 3.845 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.01 eV |
| E-fermi |
-4.231 eV |
| Vacuum level |
0.776 eV |
| VBM |
-4.233 eV |
| CBM |
-4.219 eV |
| Work function |
5.007 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.01 eV |
| E-fermi |
-4.231 eV |
| Vacuum level |
0.776 eV |
| VBM |
-4.233 eV |
| CBM |
-4.219 eV |
| Work function |
5.007 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
48.920 |
27.418 |
0.000 |
| yy |
27.418 |
48.920 |
0.000 |
| xy |
0.000 |
0.000 |
14.992 |
| Phonon mode at Γ point (THz) |
| -0.009 |
| -0.008 |
| -0.008 |
| 1.281 |
| 4.672 |
| 4.672 |
| Property |
Value |
| from where |
c2db-1488 |
