Cl2Ga2O2
MatHub2d-1320-Cl2Ga2O2
| Property | Value |
|---|---|
| Space group | (59, 'Pmmn') |
| Crystal system | rectangular |
| Magnetic | No |
| Band gap (PBE) (eV) | 4.26 |
| Free energy (eV) | -29.270 |
| Free energy / atom (eV) | -4.878 |
| a, b, c (Å): | 3.276 | 3.870 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| a, b, c (Å): | 3.235 | 3.722 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Cl2Ga2O2
Cl2Ga2O2
| Property | Value |
|---|---|
| Band gap | 4.26 eV |
| E-fermi | -5.080 eV |
| VBM | -5.388 eV |
| CBM | -1.126 eV |
| Free energy (eV) | -29.283 |
| Free energy / atom (eV) | -4.880 |
Cl2Ga2O2
| Property | Value |
|---|---|
| Band gap | 4.26 eV |
| E-fermi | -5.153 eV |
| Vacuum level | 2.432 eV |
| VBM | -5.392 eV |
| CBM | -1.127 eV |
| Work function | 7.585 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 140.165 | 49.630 | 0.000 |
| yy | 49.630 | 120.436 | 0.000 |
| xy | 0.000 | 0.000 | 55.571 |
| Phonon mode at Γ point (THz) |
|---|
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-137 |