Ce2S2
MatHub2d-1754-Ce2S2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-22.126 |
| Free energy / atom (eV) |
-5.531 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.948 | 3.948 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.044 | 4.044 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.487 eV |
| Vacuum level |
1.853 eV |
| VBM |
-0.487 eV |
| CBM |
-0.487 eV |
| Work function |
2.340 eV |
| Direct gap |
Yes |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.487 eV |
| Vacuum level |
1.853 eV |
| VBM |
-0.487 eV |
| CBM |
-0.487 eV |
| Work function |
2.340 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
83.871 |
40.797 |
0.000 |
| yy |
40.797 |
83.871 |
0.000 |
| xy |
0.000 |
0.000 |
53.161 |
| Phonon mode at Γ point (THz) |
| -0.004 |
| 0.001 |
| 0.001 |
| 1.912 |
| 1.912 |
| 3.416 |
| 5.669 |
| 6.367 |
| 6.858 |
| 6.858 |
| 7.133 |
| 7.133 |
| Property |
Value |
| from where |
JVASP-13567 |
