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

Tatsuya Nakano, Masafumi Shirai, Yoshio Miura, Kazutaka Nagao

研究成果: Article査読

抄録

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.

本文言語English
論文番号365238
ジャーナルJournal of Physics Condensed Matter
19
36
DOI
出版ステータスPublished - 2007 9 12

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学

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