We present an ab-initio study of GaP bulk as a test case to show the importance of going beyond the single particle Density Functional Theory (DFT) scheme in the calculation of excited state properties. The inclusion of many-body effects within the GW approach for the determination of electronic gaps, and of excitonic effects in the calculations of the dielectric function, is discussed. Comparison with one-particle DFT results and with experimental data are presented.
Pulci, O., Palummo, M., Olevano, V., Onida, G., Reining, L., DEL SOLE, R. (2001). Many-body effects on the electronic and optical properties of bulk GaP. In PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE (pp.1261-1266) [10.1002/1521-396X(200112)188:4<1261::AID-PSSA1261>3.0.CO;2-1].
Many-body effects on the electronic and optical properties of bulk GaP
PULCI, OLIVIA;PALUMMO, MAURIZIA;ONIDA, GIOVANNI;DEL SOLE, RODOLFO
2001-01-01
Abstract
We present an ab-initio study of GaP bulk as a test case to show the importance of going beyond the single particle Density Functional Theory (DFT) scheme in the calculation of excited state properties. The inclusion of many-body effects within the GW approach for the determination of electronic gaps, and of excitonic effects in the calculations of the dielectric function, is discussed. Comparison with one-particle DFT results and with experimental data are presented.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
