Rh2Se2
MatHub2d-1868-Rh2Se2
Property |
Value |
Space group |
(129, 'P4/nmm') |
Crystal system |
square |
Magnetic |
Yes |
Band gap (PBE) (eV) |
0.01 |
Free energy (eV) |
-16.212 |
Free energy / atom (eV) |
-4.053 |
Lattice Parameters (basic)
a, b, c (Å): | 3.960 | 3.960 | 30.000 |
α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Lattice Parameters (computed)
a, b, c (Å): | 4.026 | 4.026 | 30.000 |
α, β, γ (°): | 90.000 | 90.000 | 90.000 |
Property |
Value |
Band gap |
0.01 eV |
E-fermi |
-2.548 eV |
Vacuum level |
1.660 eV |
VBM |
-2.549 eV |
CBM |
-2.540 eV |
Work function |
4.207 eV |
Direct gap |
No |
Property |
Value |
Band gap |
0.01 eV |
E-fermi |
-2.548 eV |
Vacuum level |
1.660 eV |
VBM |
-2.549 eV |
CBM |
-2.540 eV |
Work function |
4.207 eV |
Cij (N/m) |
xx |
yy |
xy |
xx |
39.390 |
11.225 |
0.000 |
yy |
11.225 |
39.390 |
0.000 |
xy |
0.000 |
0.000 |
-9.380 |
Phonon mode at Γ point (THz) |
-0.003 |
-0.003 |
-0.001 |
3.241 |
3.241 |
3.867 |
6.360 |
6.698 |
6.698 |
6.728 |
6.783 |
6.783 |
Property |
Value |
from where |
c2db-804 |