RT Journal Article
T1 Magnetism and half-metallicity at the O surfaces of ceramic oxides
A1 Gallego, S.
A1 Beltrán Fínez, Juan Ignacio
A1 Cerdá, J.
A1 Muñoz, María del Carmen
AB 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.
PB Iop Publishing Ltd
SN 0953-8984
YR 2005
FD 2005-11-02
LK https://hdl.handle.net/20.500.14352/51515
UL https://hdl.handle.net/20.500.14352/51515
LA eng
NO Gallego, S., Beltrán Fínez, J. I., Cerdá, J. & Muñoz, M. C. «Magnetism and half-metallicity at the O surfaces of ceramic oxides». Journal of Physics: Condensed Matter, vol. 17, n.o 43, noviembre de 2005, pp. L451-57. DOI.org (Crossref), https://doi.org/10.1088/0953-8984/17/43/L04.
NO Ministerio de Educación, Formación Profesional y Deportes (España)
NO Dirección General de Investigación Científica y Técnica (España)
NO Ramón y Cajal program
NO I3P program of the CSIC
DS Docta Complutense
RD 18 abr 2025