Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys

Autores
Fuhr, Javier Daniel; Ventura, Cecilia Ileana; Barrio, Rafael A.
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Although group IV semiconductor alloys are expected to form substitutionally, in Ge1xSnx this is true only for low concentrations (x < 0.13). The use of these alloys as a narrow gap semiconductor depends on the ability to produce samples with the high quality required for optoelectronic device applications. In a previous paper, we proposed the existence of a non-substitutional complex defect (b-Sn), consisting of a single Sn atom in the center of a Ge divacancy, which may account for the segregation of Sn at large x. Afterwards, the existence of this defect was confirmed experimentally. In this paper we study the local environment and the interactions of the substitutional defect (a-Sn), the vacancy in Ge, and the b-Sn defect by performing extensive numerical ab initio calculations. Our results confirm that a b-Sn defect can be formed by natural diffusion of a vacancy around the substitutional a-Sn defect, since the energy barrier for the process is very small.
Fil: Fuhr, Javier Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); Argentina
Fil: Ventura, Cecilia Ileana. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Rio Negro. Sede Andina; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); Argentina
Fil: Barrio, Rafael A. . Universidad Nacional Autónoma de México; México
Materia
Semiconductor Alloys
Non-Substitutional Defects
Formation of Complex Defects
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/11185
Acceder
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spelling Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloysFuhr, Javier DanielVentura, Cecilia IleanaBarrio, Rafael A. Semiconductor AlloysNon-Substitutional DefectsFormation of Complex Defectshttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1Although group IV semiconductor alloys are expected to form substitutionally, in Ge1xSnx this is true only for low concentrations (x < 0.13). The use of these alloys as a narrow gap semiconductor depends on the ability to produce samples with the high quality required for optoelectronic device applications. In a previous paper, we proposed the existence of a non-substitutional complex defect (b-Sn), consisting of a single Sn atom in the center of a Ge divacancy, which may account for the segregation of Sn at large x. Afterwards, the existence of this defect was confirmed experimentally. In this paper we study the local environment and the interactions of the substitutional defect (a-Sn), the vacancy in Ge, and the b-Sn defect by performing extensive numerical ab initio calculations. Our results confirm that a b-Sn defect can be formed by natural diffusion of a vacancy around the substitutional a-Sn defect, since the energy barrier for the process is very small.Fil: Fuhr, Javier Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); ArgentinaFil: Ventura, Cecilia Ileana. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Rio Negro. Sede Andina; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); ArgentinaFil: Barrio, Rafael A. . Universidad Nacional Autónoma de México; MéxicoAmer2013-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/11185Fuhr, Javier Daniel; Ventura, Cecilia Ileana; Barrio, Rafael A. ; Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys; Amer; Journal of Applied Physics; 114; 19; 11-2013; 193508-1935080021-8979enginfo:eu-repo/semantics/altIdentifier/url/http://aip.scitation.org/doi/full/10.1063/1.4829697info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4829697info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:46:25Zoai:ri.conicet.gov.ar:11336/11185instacron: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:34982025-10-15 15:46:25.635CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys
title Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys
spellingShingle Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys
Fuhr, Javier Daniel
Semiconductor Alloys
Non-Substitutional Defects
Formation of Complex Defects
title_short Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys
title_full Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys
title_fullStr Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys
title_full_unstemmed Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys
title_sort Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys
dc.creator.none.fl_str_mv Fuhr, Javier Daniel
Ventura, Cecilia Ileana
Barrio, Rafael A.
author Fuhr, Javier Daniel
author_facet Fuhr, Javier Daniel
Ventura, Cecilia Ileana
Barrio, Rafael A.
author_role author
author2 Ventura, Cecilia Ileana
Barrio, Rafael A.
author2_role author
author
dc.subject.none.fl_str_mv Semiconductor Alloys
Non-Substitutional Defects
Formation of Complex Defects
topic Semiconductor Alloys
Non-Substitutional Defects
Formation of Complex Defects
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Although group IV semiconductor alloys are expected to form substitutionally, in Ge1xSnx this is true only for low concentrations (x < 0.13). The use of these alloys as a narrow gap semiconductor depends on the ability to produce samples with the high quality required for optoelectronic device applications. In a previous paper, we proposed the existence of a non-substitutional complex defect (b-Sn), consisting of a single Sn atom in the center of a Ge divacancy, which may account for the segregation of Sn at large x. Afterwards, the existence of this defect was confirmed experimentally. In this paper we study the local environment and the interactions of the substitutional defect (a-Sn), the vacancy in Ge, and the b-Sn defect by performing extensive numerical ab initio calculations. Our results confirm that a b-Sn defect can be formed by natural diffusion of a vacancy around the substitutional a-Sn defect, since the energy barrier for the process is very small.
Fil: Fuhr, Javier Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); Argentina
Fil: Ventura, Cecilia Ileana. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Rio Negro. Sede Andina; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Area de Investigación y Aplicaciones No Nucleares. Gerencia de Física (Centro Atómico Bariloche); Argentina
Fil: Barrio, Rafael A. . Universidad Nacional Autónoma de México; México
description Although group IV semiconductor alloys are expected to form substitutionally, in Ge1xSnx this is true only for low concentrations (x < 0.13). The use of these alloys as a narrow gap semiconductor depends on the ability to produce samples with the high quality required for optoelectronic device applications. In a previous paper, we proposed the existence of a non-substitutional complex defect (b-Sn), consisting of a single Sn atom in the center of a Ge divacancy, which may account for the segregation of Sn at large x. Afterwards, the existence of this defect was confirmed experimentally. In this paper we study the local environment and the interactions of the substitutional defect (a-Sn), the vacancy in Ge, and the b-Sn defect by performing extensive numerical ab initio calculations. Our results confirm that a b-Sn defect can be formed by natural diffusion of a vacancy around the substitutional a-Sn defect, since the energy barrier for the process is very small.
publishDate 2013
dc.date.none.fl_str_mv 2013-11
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/11336/11185
Fuhr, Javier Daniel; Ventura, Cecilia Ileana; Barrio, Rafael A. ; Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys; Amer; Journal of Applied Physics; 114; 19; 11-2013; 193508-193508
0021-8979
url http://hdl.handle.net/11336/11185
identifier_str_mv Fuhr, Javier Daniel; Ventura, Cecilia Ileana; Barrio, Rafael A. ; Formation of non-substitutional beta-Sn defects in Ge1-x Snx alloys; Amer; Journal of Applied Physics; 114; 19; 11-2013; 193508-193508
0021-8979
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://aip.scitation.org/doi/full/10.1063/1.4829697
info:eu-repo/semantics/altIdentifier/doi/10.1063/1.4829697
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
application/pdf
dc.publisher.none.fl_str_mv Amer
publisher.none.fl_str_mv Amer
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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