Br2Cr2Se2
MatHub2d-1173-Br2Cr2Se2
| Property | Value |
|---|---|
| Space group | (59, 'Pmmn') |
| Crystal system | rectangular |
| Magnetic | Yes |
| Band gap (PBE) (eV) | 0.13 |
| Free energy (eV) | -29.149 |
| Free energy / atom (eV) | -4.858 |
| a, b, c (Å): | 3.635 | 5.042 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| a, b, c (Å): | 3.685 | 5.133 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Br2Cr2Se2
Br2Cr2Se2
| Property | Value |
|---|---|
| Band gap | 0.13 eV |
| E-fermi | -3.789 eV |
| Vacuum level | 2.675 eV |
| VBM | -3.847 eV |
| CBM | -3.716 eV |
| Work function | 6.464 eV |
| Cij (N/m) | xx | yy | xy |
| xx | -16.403 | -64.212 | 0.000 |
| yy | -64.212 | -44.917 | 0.000 |
| xy | 0.000 | 0.000 | 13.442 |
| Phonon mode at Γ point (THz) |
|---|
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-76 |