Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl

Renu Choudhary, Parashu Kharel, Shah R. Valloppilly, Yunlong Jin, Andrew O'Connell, Yung Huh, Simeon Gilbert, Arti Kashyap, David J Sellmyer, Ralph Skomski

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Abstract

Disordered CoFeCrAl and CoFeCrSi0.5Al0.5 alloys have been investigated experimentally and by first-principle calculations. The melt-spun and annealed samples all exhibit Heusler-type superlattice peaks, but the peak intensities indicate a substantial degree of B2-type chemical disorder. Si substitution reduces the degree of this disorder. Our theoretical analysis also considers several types of antisite disorder (Fe-Co, Fe-Cr, Co-Cr) in Y-ordered CoFeCrAl and partial substitution of Si for Al. The substitution transforms the spin-gapless semiconductor CoFeCrAl into a half-metallic ferrimagnet and increases the half-metallic band gap by 0.12 eV. Compared CoFeCrAl, the moment of CoFeCrSi0.5Al0.5 is predicted to increase from 2.01 μB to 2.50 μB per formula unit, in good agreement with experiment.

Original languageEnglish (US)
Article number056304
JournalAIP Advances
Volume6
Issue number5
DOIs
StatePublished - May 1 2016

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disorders
substitutes
ferrimagnets
moments

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Choudhary, R., Kharel, P., Valloppilly, S. R., Jin, Y., O'Connell, A., Huh, Y., ... Skomski, R. (2016). Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl. AIP Advances, 6(5), [056304]. https://doi.org/10.1063/1.4943306

Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl. / Choudhary, Renu; Kharel, Parashu; Valloppilly, Shah R.; Jin, Yunlong; O'Connell, Andrew; Huh, Yung; Gilbert, Simeon; Kashyap, Arti; Sellmyer, David J; Skomski, Ralph.

In: AIP Advances, Vol. 6, No. 5, 056304, 01.05.2016.

Research output: Contribution to journalArticle

Choudhary, R, Kharel, P, Valloppilly, SR, Jin, Y, O'Connell, A, Huh, Y, Gilbert, S, Kashyap, A, Sellmyer, DJ & Skomski, R 2016, 'Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl', AIP Advances, vol. 6, no. 5, 056304. https://doi.org/10.1063/1.4943306
Choudhary R, Kharel P, Valloppilly SR, Jin Y, O'Connell A, Huh Y et al. Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl. AIP Advances. 2016 May 1;6(5). 056304. https://doi.org/10.1063/1.4943306
Choudhary, Renu ; Kharel, Parashu ; Valloppilly, Shah R. ; Jin, Yunlong ; O'Connell, Andrew ; Huh, Yung ; Gilbert, Simeon ; Kashyap, Arti ; Sellmyer, David J ; Skomski, Ralph. / Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl. In: AIP Advances. 2016 ; Vol. 6, No. 5.
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