Oxygen Vacancy Induced Ferromagnetism in V_2O_<5-x>(Condensed matter: electronic structure and electrical, magnetic, and optical properties)

概要

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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_2O_<5-x> (0<x<0.5). It is found that the introduction of oxygen vacancies would induce ferromagnetism in V_2O_<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.
社団法人日本物理学会の論文
2008-02-15