Ge2Te2Zr2
MatHub2d-1782-Ge2Te2Zr2
| Property |
Value |
| Space group |
(129, 'P4/nmm') |
| Crystal system |
square |
| Magnetic |
No |
| Band gap (PBE) (eV) |
0.00 |
| Free energy (eV) |
-37.065 |
| Free energy / atom (eV) |
-6.177 |
Lattice Parameters (basic)
| a, b, c (Å): | 3.770 | 3.770 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
| a, b, c (Å): | 3.763 | 3.763 | 30.000 |
| α, β, γ (°): | 90.000 | 90.000 | 90.000 |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.644 eV |
| Vacuum level |
4.090 eV |
| VBM |
-0.661 eV |
| CBM |
-0.639 eV |
| Work function |
4.734 eV |
| Direct gap |
No |
| Property |
Value |
| Band gap |
0.00 eV |
| E-fermi |
-0.644 eV |
| Vacuum level |
4.090 eV |
| VBM |
-0.661 eV |
| CBM |
-0.639 eV |
| Work function |
4.734 eV |
| Cij (N/m) |
xx |
yy |
xy |
| xx |
152.697 |
36.813 |
0.000 |
| yy |
36.813 |
152.697 |
0.000 |
| xy |
0.000 |
0.000 |
69.293 |
| Phonon mode at Γ point (THz) |
| -0.038 |
| -0.038 |
| -0.021 |
| 1.826 |
| 1.826 |
| 2.526 |
| 2.927 |
| 2.927 |
| 3.875 |
| 4.920 |
| 5.222 |
| 5.222 |
| 5.249 |
| 5.249 |
| 5.377 |
| 5.377 |
| 6.467 |
| 7.056 |
| Property |
Value |
| from where |
JVASP-13623 |
