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

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)242-247
Number of pages6
JournalMeasurement Science and Technology
Volume16
Issue number1
DOIs
Publication statusPublished - 2005 Jan

Keywords

  • Exchange and superexchange interactions
  • Impurity-doped TiO (rutile)
  • Magnetic impurity interactions
  • Spintronic devices

ASJC Scopus subject areas

  • Instrumentation
  • Engineering (miscellaneous)
  • Applied Mathematics

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