Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method

Detalhes bibliográficos
Autor(a) principal: Persson, Clas
Data de Publicação: 2006
Outros Autores: Nur, Omer, Willander, Magnus, Silva, Erasmo A. de Andrada e, Silva, Antonio Ferreira da
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Institucional da UFBA
Texto Completo: http://www.repositorio.ufba.br/ri/handle/ri/6966
Resumo: p.447-450
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spelling Persson, ClasNur, OmerWillander, MagnusSilva, Erasmo A. de Andrada eSilva, Antonio Ferreira daPersson, ClasNur, OmerWillander, MagnusSilva, Erasmo A. de Andrada eSilva, Antonio Ferreira da2012-10-16T20:14:57Z2012-10-16T20:14:57Z2006-060103-9733http://www.repositorio.ufba.br/ri/handle/ri/6966v. 36, n. 2ap.447-450Electronic band-edge structure and optical properties of Si1-xGex are investigated theoretically emloying a full-potential linearized augmented plane wave (FPLAPW) method. The exchange-correlation potential in the local density approximation (LDA) is corrected by an on-site Coulomb potential (i.e., within the LDA+USIC approach) acting asymmetrically on the atomic-like orbitals in the muffin-tin spheres. The electronic structure of the Si1-xGex is calculated self-consistently, assuming a Td symmetrized Hamiltonian and a linear behavior of the valence-band eigenfunctions for Si, SiGe, and Ge with respect to Ge composition x, assuming randomly alloyed crystal structure. i.e., a "virtual-crystal like" approximation (VCA). We show that this approach yields accurate band-gap energies, effective masses, dielectric function, and optical properties of Si1-xGex. We perform absorption measurements showing the band-gap energy for x < 0.25.Submitted by Texeira Ana (atanateixeira@gmail.com) on 2012-10-16T20:14:57Z No. of bitstreams: 1 Persson, Clas.pdf: 158408 bytes, checksum: 90cf594fa5168aa11236c6e05f8e76c6 (MD5)Made available in DSpace on 2012-10-16T20:14:57Z (GMT). No. of bitstreams: 1 Persson, Clas.pdf: 158408 bytes, checksum: 90cf594fa5168aa11236c6e05f8e76c6 (MD5) Previous issue date: 2006-06São PauloSociedade Brasileira de Físicahttp://dx.doi.org/10.1590/S0103-97332006000300058reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAFPLAPW/VCA/LDA+UOptical propertiesSi1-xGexElectronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational methodBrazilian Journal of Physicsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleenginfo:eu-repo/semantics/openAccessORIGINALPersson, Clas.pdfPersson, Clas.pdfapplication/pdf158408https://repositorio.ufba.br/bitstream/ri/6966/1/Persson%2c%20Clas.pdf90cf594fa5168aa11236c6e05f8e76c6MD51LICENSElicense.txtlicense.txttext/plain1809https://repositorio.ufba.br/bitstream/ri/6966/2/license.txt8bb3e3eb871f5854a9ec419f68651b60MD52TEXTPersson, Clas.pdf.txtPersson, Clas.pdf.txtExtracted texttext/plain15235https://repositorio.ufba.br/bitstream/ri/6966/3/Persson%2c%20Clas.pdf.txt835638713c1678437c123855ab0082c7MD53ri/69662022-07-05 14:03:48.54oai:repositorio.ufba.br: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ório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:48Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false
dc.title.pt_BR.fl_str_mv Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method
dc.title.alternative.pt_BR.fl_str_mv Brazilian Journal of Physics
title Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method
spellingShingle Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method
Persson, Clas
FPLAPW/VCA/LDA+U
Optical properties
Si1-xGex
title_short Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method
title_full Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method
title_fullStr Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method
title_full_unstemmed Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method
title_sort Electronic band-edge structure, effective masses, and optical absorption of Si1-xGex using an extended FPLAPW/VCA/LDA+U computational method
author Persson, Clas
author_facet Persson, Clas
Nur, Omer
Willander, Magnus
Silva, Erasmo A. de Andrada e
Silva, Antonio Ferreira da
author_role author
author2 Nur, Omer
Willander, Magnus
Silva, Erasmo A. de Andrada e
Silva, Antonio Ferreira da
author2_role author
author
author
author
dc.contributor.author.fl_str_mv Persson, Clas
Nur, Omer
Willander, Magnus
Silva, Erasmo A. de Andrada e
Silva, Antonio Ferreira da
Persson, Clas
Nur, Omer
Willander, Magnus
Silva, Erasmo A. de Andrada e
Silva, Antonio Ferreira da
dc.subject.por.fl_str_mv FPLAPW/VCA/LDA+U
Optical properties
Si1-xGex
topic FPLAPW/VCA/LDA+U
Optical properties
Si1-xGex
description p.447-450
publishDate 2006
dc.date.issued.fl_str_mv 2006-06
dc.date.accessioned.fl_str_mv 2012-10-16T20:14:57Z
dc.date.available.fl_str_mv 2012-10-16T20:14:57Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://www.repositorio.ufba.br/ri/handle/ri/6966
dc.identifier.issn.none.fl_str_mv 0103-9733
dc.identifier.number.pt_BR.fl_str_mv v. 36, n. 2a
identifier_str_mv 0103-9733
v. 36, n. 2a
url http://www.repositorio.ufba.br/ri/handle/ri/6966
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Sociedade Brasileira de Física
publisher.none.fl_str_mv Sociedade Brasileira de Física
dc.source.pt_BR.fl_str_mv http://dx.doi.org/10.1590/S0103-97332006000300058
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFBA
instname:Universidade Federal da Bahia (UFBA)
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reponame_str Repositório Institucional da UFBA
collection Repositório Institucional da UFBA
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