Oxygen vacancy induced ferromagnetism in V2O5-x
Journal
Journal of the Physical Society of Japan
Journal Volume
77
Journal Issue
2
Date Issued
2008
Author(s)
Abstract
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 x y -dominant band which then becomes spin-polarized due to intra-atomic exchange interaction, thereby giving rise to the half-metallic ferromagnetism.
Type
journal article