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.
Settore FIS/03 - Fisica della Materia
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/186620
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