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

Abstract

The occurence of spin-polarization at ZrO${}_2$, Al${}_2$O${}_3$ and MgO surfaces is proved by means of \textit{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 possible to extend the magnetization mechanism beyond surface properties.

References in corpus (8)

• The SIESTA method for ab initio order-N materials simulation
• Efficient index handling of multidimensional periodic boundary conditions
• Selfconsistent order-N density-functional calculations for very large systems
• Ferromagnetism in substituted zinc oxide
• High Temperature Ferromagnetism with Giant Magnetic Moment in Transparent Co-doped SnO2-d
• Phonons and Lattice Dielectric Properties of Zirconia
• A possible path to a new class of ferromagnetic and half metallic ferromagnetic materials
• Direct evidence for ferromagnetic spin polarization in gold nanoparticles

Cited by in corpus (9)

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• Nanosized superparamagnetic precipitates in cobalt-doped ZnO
• Tuning surface metallicity and ferromagnetism by hydrogen adsorption at the polar ZnO(0001) surface
• d0 Ferromagnetic Interface Between Non-magnetic Perovskites
• Chiral high-harmonic generation and spectroscopy on solid surfaces using polarization-tailored strong fields
• Emergence of half-metallicity in suspended NiO chains
• Surface magnetism of gallium arsenide nanofilms