English

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

Materials Science 2008-02-12 v1

Abstract

{\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 V2_2O5x_{5-x} (0<x<0.50 < x < 0.5). It is found that the introduction of oxygen vacancies would induce ferromagnetism in V2_2O5x_{5-x} with the magnetization being proportional to the O vacancy concentration xx. The calculated electronic structure reveals that the valence electrons released by the introduction of oxygen vacancies would occupy mainly the neighboring V dxyd_{xy}-dominant band which then becomes spin-polarized due to intra-atomic exchange interaction, thereby giving rise to the half-metallic ferromagnetism.

Keywords

Cite

@article{arxiv.0802.1313,
  title  = {Oxygen Vacancy Induced Ferromagnetism in V$_2$O$_{5-x}$},
  author = {Zhi Ren Xiao and Guang Yu Guo and Po Han Lee and Hua Shu Hsu and Jung Chun Andrew Huang},
  journal= {arXiv preprint arXiv:0802.1313},
  year   = {2008}
}

Comments

To be published as a Letter in J. Phys. Soc. Japan

R2 v1 2026-06-21T10:11:13.349Z