Rh2Se2
MatHub2d-1868-Rh2Se2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
Yes |
| Band gap (PBE) (eV) |
0.01 |
| Free energy (eV) |
-16.212 |
| Free energy / atom (eV) |
-4.053 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.960 | 3.960 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 4.026 | 4.026 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.01 eV |
| E-fermi |
-2.548 eV |
| Vacuum level |
1.660 eV |
| VBM |
-2.549 eV |
| CBM |
-2.540 eV |
| Work function |
4.207 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.01 eV |
| E-fermi |
-2.548 eV |
| Vacuum level |
1.660 eV |
| VBM |
-2.549 eV |
| CBM |
-2.540 eV |
| Work function |
4.207 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
39.390 |
11.225 |
0.000 |
| yy |
11.225 |
39.390 |
0.000 |
| xy |
0.000 |
0.000 |
-9.380 |
| Phonon mode at Γ point (THz) |
| -0.003 |
| -0.003 |
| -0.001 |
| 3.241 |
| 3.241 |
| 3.867 |
| 6.360 |
| 6.698 |
| 6.698 |
| 6.728 |
| 6.783 |
| 6.783 |
| Property |
Value |
| from where |
c2db-804 |
