Efficient ab-initio method for the calculation of frequency dependent non-linear optical response in semiconductors: application to second harmonic generation

Thumbnail Image

Date

Authors

Journal Title

Journal ISSN

Volume Title

Publisher

Abstract

Description

A LMTO implementation of Aversa and Sipe's length-gauge formalism for calculating the full frequency dependent second-harmonic generation in the independent particle approximation is presented. It is applied to GaAs, GaP, 3C-SiC, c-BN and wurtzite and zincblende GaN and AlN. The use of the scissor's operator for correcting LDA errors is discussed and compared to an alternative approach in which the Hamiltonian is corrected. The latter is found to be superior. Decomposition in omega and 2 omega resonances and in intra- and inter-band contributions and in specific band-to-band contributions are presented.
Latex 17 pages (REVTEX style) 8 postscript figures

Keywords

Materials Science

Citation

URI

http://salesiana.dossiersoluciones.com/handle/123456789/151936

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/9709185
 http://arxiv.org/abs/cond-mat/9709185

Collections

arXiv