Co1O2
MatHub2d-536-Co1O2
| Property | Value |
|---|---|
| Space group | (164, 'P-3m1') |
| Crystal system | hexagonal |
| Magnetic | Yes |
| Band gap (PBE) (eV) | 1.43 |
| Free energy (eV) | -16.111 |
| Free energy / atom (eV) | -5.370 |
| a, b, c (Å): | 2.807 | 2.807 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 2.831 | 2.831 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Co1O2
Co1O2
| Property | Value |
|---|---|
| Band gap | 1.43 eV |
| E-fermi | -6.451 eV |
| Vacuum level | 1.420 eV |
| VBM | -6.755 eV |
| CBM | -5.330 eV |
| Work function | 7.871 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 140.769 | 44.434 | -0.000 |
| yy | 44.434 | 140.769 | -0.000 |
| xy | -0.000 | -0.000 | 48.168 |
| Phonon mode at Γ point (THz) |
|---|
| -0.009 |
| -0.005 |
| -0.005 |
| 12.618 |
| 12.618 |
| 13.898 |
| 14.798 |
| 14.798 |
| 16.229 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | shu-9 |