Mn-Stabilized Zirconia: From Imitation Diamonds to a New Potential High-T{sub C} Ferromagnetic Spintronics Material

Journal Article · Fri Jan 05 00:00:00 EST 2007 · Physical Review Letters

DOI:https://doi.org/10.1103/PHYSREVLETT.98.016101· OSTI ID:20861586

Ostanin, S ^[1]; Ernst, A; Sandratskii, L M; Bruno, P ^[1]; Daene, M; Hergert, W; Mertig, I ^[2]; Hughes, I D; Staunton, J B ^[3]; Kudrnovsky, J ^[1]

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1. Max-Planck-Institut fuer Mikrostrukturphysik, Weinberg 2, D-06120 Halle (Saale) (Germany)
2. Martin-Luther-Universitaet Halle-Wittenberg, Fachbereich Physik, D-06099 Halle (Germany)
3. Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom)

From the basis of ab initio electronic structure calculations which include the effects of thermally excited magnetic fluctuations, we predict Mn-stabilized cubic zirconia to be ferromagnetic above 500 K. We find this material, which is well known both as an imitation diamond and as a catalyst, to be half-metallic with the majority and minority spin Mn impurity states lying in zirconia's wide gap. The Mn concentration can exceed 40%. The high-T{sub C} ferromagnetism is robust to oxygen vacancy defects and to how the Mn impurities are distributed on the Zr fcc sublattice. We propose this ceramic as a promising future spintronics material.

• OSTI ID: 20861586
• Journal Information: Physical Review Letters, Vol. 98, Issue 1; Other Information: DOI: 10.1103/PhysRevLett.98.016101; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CATALYSTS
CERAMICS
DIAMONDS
ELECTRONIC STRUCTURE
FCC LATTICES
FERROMAGNETISM
IMPURITIES
OXYGEN
SPIN
VACANCIES
ZIRCONIUM
ZIRCONIUM OXIDES