Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe

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-potenti...

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Autores principales: Albanesi, Eduardo Aldo, Okoye, C., Rodríguez, Carlos Osvaldo, Peltzer y Blancá, Eitel Leopoldo
Formato: Articulo
Lenguaje:Inglés
Publicado: 2000
Materias:
Física
Electronic structure
Structural properties
PbSe
PbTe
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/100356
https://ri.conicet.gov.ar/11336/27700
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-100356
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Física
Electronic structure
Structural properties
PbSe
PbTe
spellingShingle Física
Electronic structure
Structural properties
PbSe
PbTe
Albanesi, Eduardo Aldo
Okoye, C.
Rodríguez, Carlos Osvaldo
Peltzer y Blancá, Eitel Leopoldo
Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and PbTe
topic_facet Física
Electronic structure
Structural properties
PbSe
PbTe
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.
format Articulo
Articulo
author Albanesi, Eduardo Aldo
Okoye, C.
Rodríguez, Carlos Osvaldo
Peltzer y Blancá, Eitel Leopoldo
author_facet Albanesi, Eduardo Aldo
Okoye, C.
Rodríguez, Carlos Osvaldo
Peltzer y Blancá, Eitel Leopoldo
author_sort Albanesi, Eduardo Aldo
title Electronic structure, structural properties, and dielectric functions of IV-VI semiconductors: PbSe and 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
publishDate 2000
url http://sedici.unlp.edu.ar/handle/10915/100356
https://ri.conicet.gov.ar/11336/27700
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