Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe
- Autores
- Albanesi, Eduardo Aldo; Okoye, C.; Rodriguez, C.; Peltzer y Blanca, Eitel Leopoldo
- Año de publicación
- 2000
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- The electronic structure and frequency dependent dielectric function E(E) of rocksalt semiconductors PbSe and PbTe are investigated using the local density approximation (LDA) and the generalized gradient approximation as two different exchange and correlation approximations, within the full-potential linearized augmented plane-wave approach. Spin-orbit coupling has been incorporated in the study. The results are presented and compared with other recent calculations and experimental data. Structural properties are also obtained by means of calculations of total energy as a function of lattice parameters. The bulk structural parameters are sensitive to the choice of exchange and correlation approximation. The essential features of the band structure and density of states of PbSe and PbTe are reproduced by our calculations and agree quite well with available experimental results. The position of the minimum energy gap is correctly predicted, although the value of the gap is as usual, underestimated by the local density approximation with respect to the experimental data. This gap value is improved by the inclusion of the generalized gradient approximation. Also, we have calculated the real [E1(W)] and imaginary [E2(W)] parts of E(W) for both compounds, in the framework of the LDA scheme for exchange and correlation. The inclusion of spin-orbit coupling leads to a richer structure in both E1(W) and E2(W). The agreement with experimental results is satisfactory.
Fil: Albanesi, Eduardo Aldo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Okoye, C.. University of Nigeria; Nigeria
Fil: Rodriguez, C.. Universidad Nacional de La Plata; Argentina
Fil: Peltzer y Blanca, Eitel Leopoldo. Universidad Nacional de La Plata; Argentina - Materia
-
Electronic structure
Structural properties
PbSe
PbTe - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
- Repositorio
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/27700
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Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTeAlbanesi, Eduardo AldoOkoye, C.Rodriguez, C.Peltzer y Blanca, Eitel LeopoldoElectronic structureStructural propertiesPbSePbTehttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The electronic structure and frequency dependent dielectric function E(E) of rocksalt semiconductors PbSe and PbTe are investigated using the local density approximation (LDA) and the generalized gradient approximation as two different exchange and correlation approximations, within the full-potential linearized augmented plane-wave approach. Spin-orbit coupling has been incorporated in the study. The results are presented and compared with other recent calculations and experimental data. Structural properties are also obtained by means of calculations of total energy as a function of lattice parameters. The bulk structural parameters are sensitive to the choice of exchange and correlation approximation. The essential features of the band structure and density of states of PbSe and PbTe are reproduced by our calculations and agree quite well with available experimental results. The position of the minimum energy gap is correctly predicted, although the value of the gap is as usual, underestimated by the local density approximation with respect to the experimental data. This gap value is improved by the inclusion of the generalized gradient approximation. Also, we have calculated the real [E1(W)] and imaginary [E2(W)] parts of E(W) for both compounds, in the framework of the LDA scheme for exchange and correlation. The inclusion of spin-orbit coupling leads to a richer structure in both E1(W) and E2(W). The agreement with experimental results is satisfactory.Fil: Albanesi, Eduardo Aldo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Okoye, C.. University of Nigeria; NigeriaFil: Rodriguez, C.. Universidad Nacional de La Plata; ArgentinaFil: Peltzer y Blanca, Eitel Leopoldo. Universidad Nacional de La Plata; ArgentinaAPS Physics2000-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/27700Albanesi, Eduardo Aldo; Okoye, C.; Rodriguez, C.; Peltzer y Blanca, Eitel Leopoldo; Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe; APS Physics; Physical Review B; 61; 24; 6-2000; 16589-165950163-1829CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.61.16589info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:45:10Zoai:ri.conicet.gov.ar:11336/27700instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:45:11.252CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse |
dc.title.none.fl_str_mv |
Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe |
title |
Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe |
spellingShingle |
Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe Albanesi, Eduardo Aldo Electronic structure Structural properties PbSe PbTe |
title_short |
Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe |
title_full |
Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe |
title_fullStr |
Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe |
title_full_unstemmed |
Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe |
title_sort |
Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe |
dc.creator.none.fl_str_mv |
Albanesi, Eduardo Aldo Okoye, C. Rodriguez, C. Peltzer y Blanca, Eitel Leopoldo |
author |
Albanesi, Eduardo Aldo |
author_facet |
Albanesi, Eduardo Aldo Okoye, C. Rodriguez, C. Peltzer y Blanca, Eitel Leopoldo |
author_role |
author |
author2 |
Okoye, C. Rodriguez, C. Peltzer y Blanca, Eitel Leopoldo |
author2_role |
author author author |
dc.subject.none.fl_str_mv |
Electronic structure Structural properties PbSe PbTe |
topic |
Electronic structure Structural properties PbSe PbTe |
purl_subject.fl_str_mv |
https://purl.org/becyt/ford/1.3 https://purl.org/becyt/ford/1 |
dc.description.none.fl_txt_mv |
The electronic structure and frequency dependent dielectric function E(E) of rocksalt semiconductors PbSe and PbTe are investigated using the local density approximation (LDA) and the generalized gradient approximation as two different exchange and correlation approximations, within the full-potential linearized augmented plane-wave approach. Spin-orbit coupling has been incorporated in the study. The results are presented and compared with other recent calculations and experimental data. Structural properties are also obtained by means of calculations of total energy as a function of lattice parameters. The bulk structural parameters are sensitive to the choice of exchange and correlation approximation. The essential features of the band structure and density of states of PbSe and PbTe are reproduced by our calculations and agree quite well with available experimental results. The position of the minimum energy gap is correctly predicted, although the value of the gap is as usual, underestimated by the local density approximation with respect to the experimental data. This gap value is improved by the inclusion of the generalized gradient approximation. Also, we have calculated the real [E1(W)] and imaginary [E2(W)] parts of E(W) for both compounds, in the framework of the LDA scheme for exchange and correlation. The inclusion of spin-orbit coupling leads to a richer structure in both E1(W) and E2(W). The agreement with experimental results is satisfactory. Fil: Albanesi, Eduardo Aldo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina Fil: Okoye, C.. University of Nigeria; Nigeria Fil: Rodriguez, C.. Universidad Nacional de La Plata; Argentina Fil: Peltzer y Blanca, Eitel Leopoldo. Universidad Nacional de La Plata; Argentina |
description |
The electronic structure and frequency dependent dielectric function E(E) of rocksalt semiconductors PbSe and PbTe are investigated using the local density approximation (LDA) and the generalized gradient approximation as two different exchange and correlation approximations, within the full-potential linearized augmented plane-wave approach. Spin-orbit coupling has been incorporated in the study. The results are presented and compared with other recent calculations and experimental data. Structural properties are also obtained by means of calculations of total energy as a function of lattice parameters. The bulk structural parameters are sensitive to the choice of exchange and correlation approximation. The essential features of the band structure and density of states of PbSe and PbTe are reproduced by our calculations and agree quite well with available experimental results. The position of the minimum energy gap is correctly predicted, although the value of the gap is as usual, underestimated by the local density approximation with respect to the experimental data. This gap value is improved by the inclusion of the generalized gradient approximation. Also, we have calculated the real [E1(W)] and imaginary [E2(W)] parts of E(W) for both compounds, in the framework of the LDA scheme for exchange and correlation. The inclusion of spin-orbit coupling leads to a richer structure in both E1(W) and E2(W). The agreement with experimental results is satisfactory. |
publishDate |
2000 |
dc.date.none.fl_str_mv |
2000-06 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
http://hdl.handle.net/11336/27700 Albanesi, Eduardo Aldo; Okoye, C.; Rodriguez, C.; Peltzer y Blanca, Eitel Leopoldo; Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe; APS Physics; Physical Review B; 61; 24; 6-2000; 16589-16595 0163-1829 CONICET Digital CONICET |
url |
http://hdl.handle.net/11336/27700 |
identifier_str_mv |
Albanesi, Eduardo Aldo; Okoye, C.; Rodriguez, C.; Peltzer y Blanca, Eitel Leopoldo; Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe; APS Physics; Physical Review B; 61; 24; 6-2000; 16589-16595 0163-1829 CONICET Digital CONICET |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.61.16589 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ |
dc.format.none.fl_str_mv |
application/pdf application/pdf |
dc.publisher.none.fl_str_mv |
APS Physics |
publisher.none.fl_str_mv |
APS Physics |
dc.source.none.fl_str_mv |
reponame:CONICET Digital (CONICET) instname:Consejo Nacional de Investigaciones Científicas y Técnicas |
reponame_str |
CONICET Digital (CONICET) |
collection |
CONICET Digital (CONICET) |
instname_str |
Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.name.fl_str_mv |
CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas |
repository.mail.fl_str_mv |
dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar |
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1844614490830667776 |
score |
13.070432 |