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.
Many-body effects on the electronic and optical properties of bulk GaP / O. Pulci, M. Palummo, V. Olevano, G. Onida, L. Reining, R. Del Sole. - In: PHYSICA STATUS SOLIDI. A, APPLIED RESEARCH. - ISSN 0031-8965. - 188:4(2001), pp. 1261-1266.
Many-body effects on the electronic and optical properties of bulk GaP
G. Onida;
2001
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.
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
