Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3

Autores
Vildosola, Veronica Laura; Güller, Francisco; Llois, Ana Maria
Año de publicación
2013
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this Letter, we find by means of first-principles calculations a new physical mechanism to generate a two-dimensional electron gas, namely, the breaking of charge ordering at the surface of a charge-ordered semiconductor due to the incomplete oxygen environment of the surface ions. The emergence of the 2D gas is independent of the presence of oxygen vacancies or polar discontinuities; this is a self-doping effect. This mechanism might apply to many charge-ordered systems, in particular, we study the case of BaBiO 3(001). Our calculations show that the outer layer of the Bi-terminated simulated surface turns more cubiclike and metallic while the inner layers remain in the insulating monoclinic state that the system present in the bulk form. On the other hand, the metallization does not occur for the Ba termination, a fact that makes this system appealing for nanostructuring. Finally, in view of the bulk properties of this material under doping, this particular finding sets another possible route for future exploration: the potential scenario of 2D superconductivity at the BaBiO3 surface.
Fil: Vildosola, Veronica Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Güller, Francisco. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Comisión Nacional de Energía Atómica; Argentina
Materia
2D electron gas
Self doping
Surface metallization
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:11336/85942
Acceder
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spelling Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3Vildosola, Veronica LauraGüller, FranciscoLlois, Ana Maria2D electron gasSelf dopingSurface metallizationhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In this Letter, we find by means of first-principles calculations a new physical mechanism to generate a two-dimensional electron gas, namely, the breaking of charge ordering at the surface of a charge-ordered semiconductor due to the incomplete oxygen environment of the surface ions. The emergence of the 2D gas is independent of the presence of oxygen vacancies or polar discontinuities; this is a self-doping effect. This mechanism might apply to many charge-ordered systems, in particular, we study the case of BaBiO 3(001). Our calculations show that the outer layer of the Bi-terminated simulated surface turns more cubiclike and metallic while the inner layers remain in the insulating monoclinic state that the system present in the bulk form. On the other hand, the metallization does not occur for the Ba termination, a fact that makes this system appealing for nanostructuring. Finally, in view of the bulk properties of this material under doping, this particular finding sets another possible route for future exploration: the potential scenario of 2D superconductivity at the BaBiO3 surface.Fil: Vildosola, Veronica Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; ArgentinaFil: Güller, Francisco. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Comisión Nacional de Energía Atómica; ArgentinaFil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Comisión Nacional de Energía Atómica; ArgentinaAmerican Physical Society2013-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/85942Vildosola, Veronica Laura; Güller, Francisco; Llois, Ana Maria; Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3; American Physical Society; Physical Review Letters; 110; 20; 5-2013; 206805-2068100031-9007CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevLett.110.206805info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.110.206805info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:08:27Zoai:ri.conicet.gov.ar:11336/85942instacron: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 15:08:27.931CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3
title Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3
spellingShingle Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3
Vildosola, Veronica Laura
2D electron gas
Self doping
Surface metallization
title_short Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3
title_full Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3
title_fullStr Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3
title_full_unstemmed Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3
title_sort Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3
dc.creator.none.fl_str_mv Vildosola, Veronica Laura
Güller, Francisco
Llois, Ana Maria
author Vildosola, Veronica Laura
author_facet Vildosola, Veronica Laura
Güller, Francisco
Llois, Ana Maria
author_role author
author2 Güller, Francisco
Llois, Ana Maria
author2_role author
author
dc.subject.none.fl_str_mv 2D electron gas
Self doping
Surface metallization
topic 2D electron gas
Self doping
Surface metallization
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In this Letter, we find by means of first-principles calculations a new physical mechanism to generate a two-dimensional electron gas, namely, the breaking of charge ordering at the surface of a charge-ordered semiconductor due to the incomplete oxygen environment of the surface ions. The emergence of the 2D gas is independent of the presence of oxygen vacancies or polar discontinuities; this is a self-doping effect. This mechanism might apply to many charge-ordered systems, in particular, we study the case of BaBiO 3(001). Our calculations show that the outer layer of the Bi-terminated simulated surface turns more cubiclike and metallic while the inner layers remain in the insulating monoclinic state that the system present in the bulk form. On the other hand, the metallization does not occur for the Ba termination, a fact that makes this system appealing for nanostructuring. Finally, in view of the bulk properties of this material under doping, this particular finding sets another possible route for future exploration: the potential scenario of 2D superconductivity at the BaBiO3 surface.
Fil: Vildosola, Veronica Laura. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Güller, Francisco. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Comisión Nacional de Energía Atómica; Argentina
Fil: Llois, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina. Comisión Nacional de Energía Atómica; Argentina
description In this Letter, we find by means of first-principles calculations a new physical mechanism to generate a two-dimensional electron gas, namely, the breaking of charge ordering at the surface of a charge-ordered semiconductor due to the incomplete oxygen environment of the surface ions. The emergence of the 2D gas is independent of the presence of oxygen vacancies or polar discontinuities; this is a self-doping effect. This mechanism might apply to many charge-ordered systems, in particular, we study the case of BaBiO 3(001). Our calculations show that the outer layer of the Bi-terminated simulated surface turns more cubiclike and metallic while the inner layers remain in the insulating monoclinic state that the system present in the bulk form. On the other hand, the metallization does not occur for the Ba termination, a fact that makes this system appealing for nanostructuring. Finally, in view of the bulk properties of this material under doping, this particular finding sets another possible route for future exploration: the potential scenario of 2D superconductivity at the BaBiO3 surface.
publishDate 2013
dc.date.none.fl_str_mv 2013-05
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/11336/85942
Vildosola, Veronica Laura; Güller, Francisco; Llois, Ana Maria; Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3; American Physical Society; Physical Review Letters; 110; 20; 5-2013; 206805-206810
0031-9007
CONICET Digital
CONICET
url http://hdl.handle.net/11336/85942
identifier_str_mv Vildosola, Veronica Laura; Güller, Francisco; Llois, Ana Maria; Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3; American Physical Society; Physical Review Letters; 110; 20; 5-2013; 206805-206810
0031-9007
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/PhysRevLett.110.206805
info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.110.206805
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
application/pdf
dc.publisher.none.fl_str_mv American Physical Society
publisher.none.fl_str_mv American Physical Society
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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score 13.22299

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