Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl

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 substitut...

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Main Authors:	Renu Choudhary, Parashu Kharel, Shah R. Valloppilly, Yunlong Jin, Andrew O’Connell, Yung Huh, Simeon Gilbert, Arti Kashyap, D. J. Sellmyer, Ralph Skomski
Format:	Article
Language:	English
Published:	AIP Publishing LLC 2016-05-01
Series:	AIP Advances
Online Access:	http://dx.doi.org/10.1063/1.4943306

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spelling	doaj-fb52e2d4d28e475ea6626acaf83d6d5d2020-11-24T21:29:10ZengAIP Publishing LLCAIP Advances2158-32262016-05-0165056304056304-510.1063/1.4943306062691ADVStructural disorder and magnetism in the spin-gapless semiconductor CoFeCrAlRenu Choudhary0Parashu Kharel1Shah R. Valloppilly2Yunlong Jin3Andrew O’Connell4Yung Huh5Simeon Gilbert6Arti Kashyap7D. J. Sellmyer8Ralph Skomski9School of Basic Sciences, Indian Institute of Technology, Mandi, Himachal Pradesh, IndiaDepartment of Physics, South Dakota State University, Brookings, SD 57007, USADepartment of Physics and Astronomy and NCMN, University of Nebraska, Lincoln, NE 68588, USADepartment of Physics and Astronomy and NCMN, University of Nebraska, Lincoln, NE 68588, USADepartment of Physics and Astronomy and NCMN, University of Nebraska, Lincoln, NE 68588, USADepartment of Physics, South Dakota State University, Brookings, SD 57007, USADepartment of Physics, South Dakota State University, Brookings, SD 57007, USASchool of Basic Sciences, Indian Institute of Technology, Mandi, Himachal Pradesh, IndiaDepartment of Physics and Astronomy and NCMN, University of Nebraska, Lincoln, NE 68588, USADepartment of Physics and Astronomy and NCMN, University of Nebraska, Lincoln, NE 68588, USADisordered 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.http://dx.doi.org/10.1063/1.4943306
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Renu Choudhary Parashu Kharel Shah R. Valloppilly Yunlong Jin Andrew O’Connell Yung Huh Simeon Gilbert Arti Kashyap D. J. Sellmyer Ralph Skomski
spellingShingle	Renu Choudhary Parashu Kharel Shah R. Valloppilly Yunlong Jin Andrew O’Connell Yung Huh Simeon Gilbert Arti Kashyap D. J. Sellmyer Ralph Skomski Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl AIP Advances
author_facet	Renu Choudhary Parashu Kharel Shah R. Valloppilly Yunlong Jin Andrew O’Connell Yung Huh Simeon Gilbert Arti Kashyap D. J. Sellmyer Ralph Skomski
author_sort	Renu Choudhary
title	Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl
title_short	Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl
title_full	Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl
title_fullStr	Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl
title_full_unstemmed	Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl
title_sort	structural disorder and magnetism in the spin-gapless semiconductor cofecral
publisher	AIP Publishing LLC
series	AIP Advances
issn	2158-3226
publishDate	2016-05-01
description	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.
url	http://dx.doi.org/10.1063/1.4943306
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Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl

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