Dependence of magnetism on doping concentration in V-Doped bulk ZnO

Qian Wang, Qiang Sun Puru Jena, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)


Extensive calculations based on density functional theory have been carried out to understand the dependence of magnetic coupling on the concentration and distribution of V dopants in bulk ZnO. We considered three different doping concentration of V, namely 5.6%, 8.3% and 12.5%. At low doping concentration, ferromagnetic, anti-ferromagnetic and ferrimagnetic couplings are energetically nearly degenerate. Consequently, thermal fluctuation in samples may cause diverse magnetic behaviors. However, the ferromagnetic state becomes stable as the concentration of V increases to 12.5%. At low concentrations (5.6% and 8.3%) V atoms substitute Zn atoms uniformly in bulk ZnO, while they tend to cluster when their concentration reaches 12.5%. The present study provides an understanding of the conflicting experimental observations in V-doped bulk ZnO.

Original languageEnglish
Pages (from-to)2469-2473
Number of pages5
JournalMaterials Transactions
Issue number11
Publication statusPublished - 2008 Nov
Externally publishedYes


  • Density functional theory
  • Magnetism
  • V-doped zno

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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