Br4Re2
MatHub2d-1287-Br4Re2
| Property | Value |
|---|---|
| Space group | (11, 'P2_1/m') |
| Crystal system | rectangular |
| Magnetic | Yes |
| Band gap (PBE) (eV) | 0.86 |
| Free energy (eV) | -23.984 |
| Free energy / atom (eV) | -3.997 |
| a, b, c (Å): | 5.605 | 3.885 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| a, b, c (Å): | 6.037 | 3.931 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Br4Re2
Br4Re2
| Property | Value |
|---|---|
| Band gap | 0.86 eV |
| E-fermi | -2.094 eV |
| Vacuum level | 1.595 eV |
| VBM | -2.320 eV |
| CBM | -1.463 eV |
| Work function | 3.688 eV |
| Cij (N/m) | xx | yy | xy |
| xx | -12.219 | -8.642 | -0.000 |
| yy | -8.642 | 69.596 | 0.000 |
| xy | -0.000 | 0.000 | -21.842 |
| Phonon mode at Γ point (THz) |
|---|
| -1.424 |
| -0.004 |
| -0.004 |
| -0.001 |
| 1.118 |
| 1.748 |
| 2.660 |
| 3.731 |
| 3.953 |
| 4.186 |
| 4.243 |
| 4.317 |
| 4.606 |
| 4.657 |
| 4.753 |
| 4.914 |
| 5.090 |
| 5.130 |
Seebeck
p-type
n-type
Sigma
p-type
n-type
| Property | Value |
|---|---|
| from where | c2db-1906 |