Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe
- Autores
- Albanesi, Eduardo Aldo; Okoye, C.; Rodríguez, Carlos Osvaldo; Peltzer y Blancá, 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.
Instituto de Física de Líquidos y Sistemas Biológicos - Materia
-
Física
Electronic structure
Structural properties
PbSe
PbTe - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by-nc-sa/4.0/
- Repositorio
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/100356
Ver los metadatos del registro completo
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Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTeAlbanesi, Eduardo AldoOkoye, C.Rodríguez, Carlos OsvaldoPeltzer y Blancá, Eitel LeopoldoFísicaElectronic structureStructural propertiesPbSePbTeThe 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.Instituto de Física de Líquidos y Sistemas Biológicos2000-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf16589-16595http://sedici.unlp.edu.ar/handle/10915/100356enginfo:eu-repo/semantics/altIdentifier/url/https://ri.conicet.gov.ar/11336/27700info:eu-repo/semantics/altIdentifier/issn/0163-1829info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.61.16589info:eu-repo/semantics/altIdentifier/hdl/11336/27700info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:21:06Zoai:sedici.unlp.edu.ar:10915/100356Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:21:06.559SEDICI (UNLP) - Universidad Nacional de La Platafalse |
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 Física 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. Rodríguez, Carlos Osvaldo Peltzer y Blancá, Eitel Leopoldo |
author |
Albanesi, Eduardo Aldo |
author_facet |
Albanesi, Eduardo Aldo Okoye, C. Rodríguez, Carlos Osvaldo Peltzer y Blancá, Eitel Leopoldo |
author_role |
author |
author2 |
Okoye, C. Rodríguez, Carlos Osvaldo Peltzer y Blancá, Eitel Leopoldo |
author2_role |
author author author |
dc.subject.none.fl_str_mv |
Física Electronic structure Structural properties PbSe PbTe |
topic |
Física Electronic structure Structural properties PbSe PbTe |
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. Instituto de Física de Líquidos y Sistemas Biológicos |
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 Articulo 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://sedici.unlp.edu.ar/handle/10915/100356 |
url |
http://sedici.unlp.edu.ar/handle/10915/100356 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/url/https://ri.conicet.gov.ar/11336/27700 info:eu-repo/semantics/altIdentifier/issn/0163-1829 info:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.61.16589 info:eu-repo/semantics/altIdentifier/hdl/11336/27700 |
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openAccess |
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http://creativecommons.org/licenses/by-nc-sa/4.0/ Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
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