Electric-Field Gradient at Cd Impurities in In<SUB>2</SUB>O<SUB>3</SUB> : A FLAPW Study

We report an ab initio study of the electric-field gradient tensor (EFG) at Cd impurities located at both inequivalent cationic sites in the semiconductor In2O3. Calculations were performed with the FLAPW method, that allows us to treat the electronic structure of the doped system and the atomic rel...

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Detalles Bibliográficos
Autores principales: Errico, Leonardo Antonio, Rentería, Mario, Fabricius, Gabriel, Darriba, Germán Nicolás
Formato: Articulo Preprint
Lenguaje:Inglés
Publicado: 2004
Materias:
Física
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/131012
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-131012
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Física
spellingShingle Física
Errico, Leonardo Antonio
Rentería, Mario
Fabricius, Gabriel
Darriba, Germán Nicolás
Electric-Field Gradient at Cd Impurities in In<SUB>2</SUB>O<SUB>3</SUB> : A FLAPW Study
topic_facet Física
description We report an ab initio study of the electric-field gradient tensor (EFG) at Cd impurities located at both inequivalent cationic sites in the semiconductor In2O3. Calculations were performed with the FLAPW method, that allows us to treat the electronic structure of the doped system and the atomic relaxations introduced by the impurities in the host lattice in a fully self-consistent way. From our results for the EFG (in excellent agreement with the experiments), it is clear that the problem of the EFG at impurities in In2O3 cannot be described by the point-charge model and antishielding factors.
format Articulo
Preprint
author Errico, Leonardo Antonio
Rentería, Mario
Fabricius, Gabriel
Darriba, Germán Nicolás
author_facet Errico, Leonardo Antonio
Rentería, Mario
Fabricius, Gabriel
Darriba, Germán Nicolás
author_sort Errico, Leonardo Antonio
title Electric-Field Gradient at Cd Impurities in In<SUB>2</SUB>O<SUB>3</SUB> : A FLAPW Study
title_short Electric-Field Gradient at Cd Impurities in In<SUB>2</SUB>O<SUB>3</SUB> : A FLAPW Study
title_full Electric-Field Gradient at Cd Impurities in In<SUB>2</SUB>O<SUB>3</SUB> : A FLAPW Study
title_fullStr Electric-Field Gradient at Cd Impurities in In<SUB>2</SUB>O<SUB>3</SUB> : A FLAPW Study
title_full_unstemmed Electric-Field Gradient at Cd Impurities in In<SUB>2</SUB>O<SUB>3</SUB> : A FLAPW Study
title_sort electric-field gradient at cd impurities in in<sub>2</sub>o<sub>3</sub> : a flapw study
publishDate 2004
url http://sedici.unlp.edu.ar/handle/10915/131012
work_keys_str_mv AT erricoleonardoantonio electricfieldgradientatcdimpuritiesininsub2subosub3subaflapwstudy
AT renteriamario electricfieldgradientatcdimpuritiesininsub2subosub3subaflapwstudy
AT fabriciusgabriel electricfieldgradientatcdimpuritiesininsub2subosub3subaflapwstudy
AT darribagermannicolas electricfieldgradientatcdimpuritiesininsub2subosub3subaflapwstudy
bdutipo_str Repositorios
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