Oxygen Vacancy Induced Ferromagnetism in V$_2$O$_{5-x}$

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dc.creatorXiao, Zhi Ren
dc.creatorGuo, Guang Yu
dc.creatorLee, Po Han
dc.creatorHsu, Hua Shu
dc.creatorHuang, Jung Chun Andrew
dc.date2008-02-10
dc.date.accessioned2026-07-07T09:19:48Z
dc.date.available2026-07-07T09:19:48Z
dc.description{\it Ab initio} calculations within density functional theory with generalized gradient approximation have been performed to study the effects of oxygen vacancies on the electronic structure and magnetism in undoped V$_2$O$_{5-x}$ ($0 < x < 0.5$). It is found that the introduction of oxygen vacancies would induce ferromagnetism in V$_2$O$_{5-x}$ with the magnetization being proportional to the O vacancy concentration $x$. The calculated electronic structure reveals that the valence electrons released by the introduction of oxygen vacancies would occupy mainly the neighboring V $d_{xy}$-dominant band which then becomes spin-polarized due to intra-atomic exchange interaction, thereby giving rise to the half-metallic ferromagnetism.
dc.descriptionTo be published as a Letter in J. Phys. Soc. Japan
dc.identifierhttps://arxiv.org/abs/0802.1313
dc.identifierhttp://arxiv.org/abs/0802.1313
dc.identifierJ. Phys. Soc. Japan 77 (2008) 023706
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/154529
dc.subjectMaterials Science
dc.titleOxygen Vacancy Induced Ferromagnetism in V$_2$O$_{5-x}$
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