The computational materials design of (Ga, Cr)N: Effects of co-doping on exchange interactions

Tatsuya Nakano, Masafumi Shirai, Yoshio Miura, Kazutaka Nagao

Research output: Contribution to journalArticlepeer-review

Abstract

We investigate the effect of O or Be co-doping on the exchange interaction between Cr spins in (Ga, Cr)N by means of first-principles calculations based on the density-functional theory. The ferromagnetic exchange interactions are reduced by doping Be around Cr. On the other hand, O doping reduces the ferromagnetic interaction remarkably only for the case of Cr-O-Cr complex formation. The enhancement of the ferromagnetic exchange interaction cannot be achieved by doping O or Be impurities. However, the O and Be impurities can help the clustering of Cr atoms due to the enhancement of the attractive interaction between Cr atoms.

Original languageEnglish
Article number365238
JournalJournal of Physics Condensed Matter
Volume19
Issue number36
DOIs
Publication statusPublished - 2007 Sep 12

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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