Magnetism and half-metallicity at the O surfaces of ceramic oxides

The occurrence of spin polarization at ZrO2, Al2O3 and MgO surfaces is proved by means of ab initio calculations within the density functional theory. Large spin moments, as high as 1.56 mu(B), develop at O-ended polar terminations, transforming the non-magnetic insulator into a half-metal. The magn...

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Detalles Bibliográficos
Autores: Gallego, S., Beltrán Fínez, Juan Ignacio, Cerdá, J., Muñoz, María del Carmen
Tipo de recurso: artículo
Fecha de publicación:2005
País:España
Institución:Universidad Complutense de Madrid (UCM)
Repositorio:Docta Complutense
Idioma:inglés
OAI Identifier:oai:docta.ucm.es:20.500.14352/51515
Acceso en línea:https://hdl.handle.net/20.500.14352/51515
Access Level:acceso abierto
Palabra clave:537
Room-temperature
Semiconductor surfaces
Zirconica
Films
Growth
ZrO2
Microscopy.
Electricidad
Electrónica (Física)
Física del estado sólido
2202.03 Electricidad
2211 Física del Estado Sólido
id ES_deb89e3a9348efc76d24f9c6d4ba9dec
oai_identifier_str oai:docta.ucm.es:20.500.14352/51515
network_acronym_str ES
network_name_str España
repository_id_str
spelling Magnetism and half-metallicity at the O surfaces of ceramic oxidesGallego, S.Beltrán Fínez, Juan IgnacioCerdá, J.Muñoz, María del Carmen537Room-temperatureSemiconductor surfacesZirconicaFilmsGrowthZrO2Microscopy.ElectricidadElectrónica (Física)Física del estado sólido2202.03 Electricidad2211 Física del Estado SólidoThe occurrence of spin polarization at ZrO2, Al2O3 and MgO surfaces is proved by means of ab initio calculations within the density functional theory. Large spin moments, as high as 1.56 mu(B), develop at O-ended polar terminations, transforming the non-magnetic insulator into a half-metal. The magnetic moments mainly reside in the surface oxygen atoms and their origin is related to the existence of 2p holes of well defined spin polarization at the valence band of the ionic oxide. The direct relation between magnetization and local loss of donor charge makes it possible to extend the magnetization mechanism beyond surface properties.Iop Publishing LtdUniversidad Complutense de Madrid20052005-11-0220052005-11-02journal articlehttp://purl.org/coar/resource_type/c_6501info:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/20.500.14352/51515reponame:Docta Complutenseinstname:Universidad Complutense de Madrid (UCM)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessoai:docta.ucm.es:20.500.14352/515152026-06-02T12:44:21Z
dc.title.none.fl_str_mv Magnetism and half-metallicity at the O surfaces of ceramic oxides
title Magnetism and half-metallicity at the O surfaces of ceramic oxides
spellingShingle Magnetism and half-metallicity at the O surfaces of ceramic oxides
Gallego, S.
537
Room-temperature
Semiconductor surfaces
Zirconica
Films
Growth
ZrO2
Microscopy.
Electricidad
Electrónica (Física)
Física del estado sólido
2202.03 Electricidad
2211 Física del Estado Sólido
title_short Magnetism and half-metallicity at the O surfaces of ceramic oxides
title_full Magnetism and half-metallicity at the O surfaces of ceramic oxides
title_fullStr Magnetism and half-metallicity at the O surfaces of ceramic oxides
title_full_unstemmed Magnetism and half-metallicity at the O surfaces of ceramic oxides
title_sort Magnetism and half-metallicity at the O surfaces of ceramic oxides
dc.creator.none.fl_str_mv Gallego, S.
Beltrán Fínez, Juan Ignacio
Cerdá, J.
Muñoz, María del Carmen
author Gallego, S.
author_facet Gallego, S.
Beltrán Fínez, Juan Ignacio
Cerdá, J.
Muñoz, María del Carmen
author_role author
author2 Beltrán Fínez, Juan Ignacio
Cerdá, J.
Muñoz, María del Carmen
author2_role author
author
author
dc.contributor.none.fl_str_mv Universidad Complutense de Madrid
dc.subject.none.fl_str_mv 537
Room-temperature
Semiconductor surfaces
Zirconica
Films
Growth
ZrO2
Microscopy.
Electricidad
Electrónica (Física)
Física del estado sólido
2202.03 Electricidad
2211 Física del Estado Sólido
topic 537
Room-temperature
Semiconductor surfaces
Zirconica
Films
Growth
ZrO2
Microscopy.
Electricidad
Electrónica (Física)
Física del estado sólido
2202.03 Electricidad
2211 Física del Estado Sólido
description The occurrence of spin polarization at ZrO2, Al2O3 and MgO surfaces is proved by means of ab initio calculations within the density functional theory. Large spin moments, as high as 1.56 mu(B), develop at O-ended polar terminations, transforming the non-magnetic insulator into a half-metal. The magnetic moments mainly reside in the surface oxygen atoms and their origin is related to the existence of 2p holes of well defined spin polarization at the valence band of the ionic oxide. The direct relation between magnetization and local loss of donor charge makes it possible to extend the magnetization mechanism beyond surface properties.
publishDate 2005
dc.date.none.fl_str_mv 2005
2005-11-02
2005
2005-11-02
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/20.500.14352/51515
url https://hdl.handle.net/20.500.14352/51515
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Iop Publishing Ltd
publisher.none.fl_str_mv Iop Publishing Ltd
dc.source.none.fl_str_mv reponame:Docta Complutense
instname:Universidad Complutense de Madrid (UCM)
instname_str Universidad Complutense de Madrid (UCM)
reponame_str Docta Complutense
collection Docta Complutense
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869421999568191488
score 15,300719

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