Structural disorder and magnetism in the spin-gapless semiconductor CoFeCrAl
- School of Basic Sciences, Indian Institute of Technology, Mandi, Himachal Pradesh (India)
- Department of Physics, South Dakota State University, Brookings, SD 57007 (United States)
- Department of Physics and Astronomy and NCMN, University of Nebraska, Lincoln, NE 68588 (United States)
Disordered CoFeCrAl and CoFeCrSi{sub 0.5}Al{sub 0.5} 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 CoFeCrSi{sub 0.5}Al{sub 0.5} is predicted to increase from 2.01 μ{sub B} to 2.50 μ{sub B} per formula unit, in good agreement with experiment.
- OSTI ID:
- 22611770
- Journal Information:
- AIP Advances, Vol. 6, Issue 5; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); ISSN 2158-3226
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALUMINIUM COMPOUNDS
ANNEALING
CHROMIUM COMPOUNDS
COBALT COMPOUNDS
COMPARATIVE EVALUATIONS
COMPUTERIZED SIMULATION
CRYSTAL STRUCTURE
HEUSLER ALLOYS
IRON COMPOUNDS
MAGNETIC PROPERTIES
MAGNETISM
SEMICONDUCTOR MATERIALS
SILICON COMPOUNDS
SPIN
SUPERLATTICES