Table 1

Bandgaps
References Method Bandgap (eV)
[6] GGA 4.0
[14] LDA 4.2
PW91-GGA 3.8
[13] G0W0 7.2
Current GGA 4.13
Regular mBJ 6.19
Non-regular mBJ 8.02
Exp. [12] - 8.7

GGA, generalized gradient approximation; LDA, local density approximation; GW, Green function; mBJ, modified Becke-Johnson.

Yazdanmehr et al.

Yazdanmehr et al. Nanoscale Research Letters 2012 7:488   doi:10.1186/1556-276X-7-488

Open Data