We compare models of diagonal and off-diagonal screening with LDA-RPA full calculations in Si and cubic GaN. Simplified GW calculations relying on these models are also compared with full GW calculations for the same materials. A recipe for simplified GW calculations is obtained which works well for small, moderate and wide gap semiconductors.
Screening models and simplified GW approaches: Si and GaN as test cases
CAPPELLINI, GIANCARLO
1995-01-01
Abstract
We compare models of diagonal and off-diagonal screening with LDA-RPA full calculations in Si and cubic GaN. Simplified GW calculations relying on these models are also compared with full GW calculations for the same materials. A recipe for simplified GW calculations is obtained which works well for small, moderate and wide gap semiconductors.
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