Screening models and simplified GW approaches - Si and GAN as test cases
|Title||Screening models and simplified GW approaches - Si and GAN as test cases|
|Publication Type||Palaiseau Article|
|Author Address|| |
PALUMMO, M (Reprint Author), UNIV ROMA TOR VERGATA,DIPARTIMENTO FIS,VIA RIC SCI 1,I-00133 ROME,ITALY. ECOLE POLYTECH,CEA,DTA DECM,SOLIDES IRRADIES LAB,CNRS,URA 1380,F-91128 PALAISEAU,FRANCE. UNIV JENA,FAK PHYS ASTRON,D-07743 JENA,GERMANY. UNIV CAGLIARI,FAC MED & CHIRURG,IST FIS,I-09125 CAGLIARI,ITALY.
|Palummo, M, Del Sole, R, Reining, L, Bechstedt, F, Cappellini, G|
|Publisher||PERGAMON-ELSEVIER SCIENCE LTD|
|Year of Publication||1995|
|Journal||Solid State Communications|
|Type of Work||Article|
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.