All electron atomic orbit | GGA | 0.82[u] | |
PAW | GGA | 5.734 | 0.674[v] |
PAW | GGA-PBE | 5.648 | 0.43[w] |
FP -LAPW | GGA-WC | 5.6654 | 0.341[e] |
GGA-EV | 0.968[e] | ||
mBJ-LDA | 1.560[e] | ||
mBJ-LDA | 1.64[x] | ||
HSE06 | 1.33[w] | ||
G0W0 | 1.51[w] | ||
Plane wave and pseudopotential | GW | 1.133[d] | |
SX | 1.289[d] | ||
Ab initio pseudopotentials | 5.52 | 0.4[y] | |
LUC-INDO | 5.6542 | 1.91[z] | |
EPM | 1.527[α] | ||
EPM | Non local pseudopotential | 1.51[β] | |
EPM | Non local pseudopotential | 5.65 | 1.51[γ] |
Experiments | |||
Experimental | Absorption spectra measurements | 1.519[δ] at low T | |
Photoluminescence measurements | 1.519[ε], low T 1.43[ζ] at 300 K | ||
Magnetoluminescence measurements | 5.65325 | 1.5192[η], low T | |
Transmission measurements | 1.42[θ] at 300 K | ||
Raman measurements | 1.519[ι] at low T 1.425[ι], 300 K | ||
Scanning tunneling microscopy and spectroscopy measurements | 1.7[κ] at 300 K 1.2[λ] at 300 K 1.42[μ] at 300K | ||
Photocapacitance measurements | 1.5[ν] at 77 K |