Ab initio study of ferromagnetism in Ga1-xCrxN thin films

Q. Wang, Q. Sun, P. Jena, J. Z. Yu, R. Note, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

20 Citations (Scopus)

Abstract

Electronic structure and magnetic properties of Ga1-xCrxN thin films are studied using the gradient corrected density functional method and a supercell slab model. Calculations are carried out by varying the concentration of doped Cr atoms and the sites they occupy. Cr atoms are found to prefer to reside on the surface sites and cluster around N as Mn atoms do. However, unlike Mn-doped GaN, Cr-doped GaN is found to be ferromagnetic for all concentrations studied. The calculated ferromagnetism is in agreement with recent experimental observations.

Original languageEnglish
Article number045435
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume72
Issue number4
DOIs
Publication statusPublished - 2005 Jul 15

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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