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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/85942
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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 Técnicas2025-09-29T10:11:19Zoai: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:34982025-09-29 10:11:19.688CONICET 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 |
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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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