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.
Palummo, M., DEL SOLE, R., Reining, L., Bechstedt, F., Cappellini, G. (1995). Screening models and simplified GW approaches: Si & GaN as test cases. SOLID STATE COMMUNICATIONS, 95(6), 393-398 [10.1016/0038-1098(95)00199-9].
Screening models and simplified GW approaches: Si & GaN as test cases
PALUMMO, MAURIZIA;DEL SOLE, RODOLFO;
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.File in questo prodotto:
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