Role of Mn antisite defects on half-metallicity in Co2MnSi Heusler alloy

S. Picozzi, A. Continenza, Arthur J Freeman

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Accurate first-principles FLAPW calculations performed for Mn antisite defects in Co2MnSi alloy show that (i) the low defect formation energy results in a high concentration of Mn antisites during growth, in excellent quantitative agreement with experiments and (ii) half-metallicity - typical of bulk Co2MnSi - is kept, with the disorder resulting in a small increase of the spin-gap. These findings indicate that other kinds of defects or surface effects should be invoked in order to explain the observed reduced spin-polarization.

Original languageEnglish
Pages (from-to)315-316
Number of pages2
JournalJournal of Magnetism and Magnetic Materials
Volume272-276
Issue numberI
DOIs
Publication statusPublished - May 2004

Fingerprint

antisite defects
metallicity
Defects
defects
energy of formation
Spin polarization
disorders
polarization
Experiments

Keywords

  • Defects
  • Half-metallicity
  • Heusler compounds
  • Spin injection

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Role of Mn antisite defects on half-metallicity in Co2MnSi Heusler alloy. / Picozzi, S.; Continenza, A.; Freeman, Arthur J.

In: Journal of Magnetism and Magnetic Materials, Vol. 272-276, No. I, 05.2004, p. 315-316.

Research output: Contribution to journalArticle

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AB - Accurate first-principles FLAPW calculations performed for Mn antisite defects in Co2MnSi alloy show that (i) the low defect formation energy results in a high concentration of Mn antisites during growth, in excellent quantitative agreement with experiments and (ii) half-metallicity - typical of bulk Co2MnSi - is kept, with the disorder resulting in a small increase of the spin-gap. These findings indicate that other kinds of defects or surface effects should be invoked in order to explain the observed reduced spin-polarization.

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