Te2V2
MatHub2d-1091-Te2V2
| Property | Value |
|---|---|
| Space group | (187, 'P-6m2') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 0.60 |
| Free energy (eV) | -17.990 |
| Free energy / atom (eV) | -4.497 |
| a, b, c (Å): | 3.958 | 3.958 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 4.107 | 4.107 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Te2V2
Te2V2
| Property | Value |
|---|---|
| Band gap | 0.60 eV |
| E-fermi | -2.335 eV |
| Vacuum level | 2.567 eV |
| VBM | -2.694 eV |
| CBM | -2.095 eV |
| Work function | 4.902 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 19.515 | 11.856 | -0.000 |
| yy | 11.856 | 19.515 | 0.000 |
| xy | -0.000 | 0.000 | 3.830 |
| Phonon mode at Γ point (THz) |
|---|
| -0.007 |
| -0.006 |
| -0.006 |
| 1.335 |
| 1.335 |
| 3.080 |
| 5.918 |
| 5.918 |
| 6.120 |
| 7.813 |
| 7.813 |
| 12.265 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Carrier type | C2D (N/m) | Edef (eV) | μ (cm2V-1s-1) | |||
|---|---|---|---|---|---|---|
| x | y | x | y | x | y | |
| hole | 22.32 | 22.68 | -4.64 | -6.58 | -3.80 | -1.93 |
| electron | -4.18 | -3.51 | 0.31 | 0.45 | ||
| Property | Value |
|---|---|
| from where | c2db-1713 |