Sn1Te1
MatHub2d-1077-Sn1Te1
| Property | Value |
|---|---|
| Space group | (156, 'P3m1') |
| Crystal system | hexagonal |
| Magnetic | No |
| Band gap (PBE) (eV) | 1.88 |
| Free energy (eV) | -7.305 |
| Free energy / atom (eV) | -3.652 |
| a, b, c (Å): | 4.173 | 4.173 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
| a, b, c (Å): | 4.157 | 4.157 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 120.000 |
Sn1Te1
Sn1Te1
| Property | Value |
|---|---|
| Band gap | 1.58 eV |
| E-fermi | -3.152 eV |
| VBM | -3.436 eV |
| CBM | -1.857 eV |
| Free energy (eV) | -7.459 |
| Free energy / atom (eV) | -3.729 |
Sn1Te1
| Property | Value |
|---|---|
| Band gap | 1.88 eV |
| E-fermi | -3.457 eV |
| Vacuum level | 1.768 eV |
| VBM | -3.733 eV |
| CBM | -1.856 eV |
| Work function | 5.225 eV |
| Cij (N/m) | xx | yy | xy |
| xx | 21.969 | 5.104 | 0.000 |
| yy | 5.104 | 21.969 | -0.000 |
| xy | 0.000 | -0.000 | 8.432 |
| Phonon mode at Γ point (THz) |
|---|
| -0.012 |
| -0.012 |
| -0.007 |
| 3.961 |
| 3.961 |
| 5.505 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-705 |