TiO2 (rutile) doped with double impurities for fabricating spintronic devices - A combinatorial computational approach

P. Murugan, R. V. Belosludov, H. Mizuseki, T. Nishimatsu, T. Fukumura, M. Kawasaki, Y. Kawazoe

研究成果: Article査読

6 被引用数 (Scopus)

抄録

Suitable spintronic materials have been screened out using a combinatorial computational approach from 45 sets of TiO2 rutile doped with double impurities, Ti14M1M 2O32 (M1, M2 = Cr, Mn, Fe, Co, Ni, Mo, Ru, W, Re and OS, M1 ≠ M2) on the basis of the electronic and magnetic properties of these systems. The advantages of doping TiO2 with double impurities instead of single impurities are investigated in this work. The total moment of the systems, the local magnetic moments of the impurities and their oxidation states have been computed using ab initio calculations. The study reveals a free flow of charge carriers and the half-metallic nature in Fe- and W-doped TiO2 rutile.

本文言語English
ページ(範囲)242-247
ページ数6
ジャーナルMeasurement Science and Technology
16
1
DOI
出版ステータスPublished - 2005 1

ASJC Scopus subject areas

  • 器械工学
  • 工学(その他)
  • 応用数学

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