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Title: Non-Heisenberg magnetism in a quaternary spin-gapless semiconductor

Abstract

Understanding of spin-gapless semiconductors with fully spin-polarized charge carriers is critically important because of their promise for spintronic applications. Here, we report non-collinear spin structures, magnetic ground state, and effective exchange interactions of the spin-gapless semiconductor CoFeCrAl investigated with noncollinear density functional calculations. The ground state of CoFeCrAl is ferrimagnetic and has a spin configuration with ↓ Fe, ↑ Co and ↑ Cr spins. In our constrained calculations, the magnetizations of the Fe, Co, and Cr sublattices are rotated by various angles θ, which give rise to three sets of noncollinear spin structures. For all three elements, the magnetic energy increases with the angle, which reconfirms the ferrimagnetic spin structure. During rotation, the magnitudes of the Co and Cr spins remain almost unchanged, whereas that of Fe strongly decreases as a function of the angle θ. This indicates that the finite-temperature behavior of CoFeCrAl is characterized by a pronounced non-Heisenberg behavior of the ↓ Fe moments, whereas the ↑ Co and ↑ Cr moments are Heisenberg-like. Here, we discuss how this feature affects the finite-temperature behavior of the alloy beyond the commonly considered intersublattice Heisenberg exchange.

Authors:
 [1];  [2];  [3];  [4];  [4]
  1. Indian Inst. of Technology, Himachal Pradesh (India); Univ. of Nebraska, Lincoln, NE (United States); Ames Lab., and Iowa State Univ., Ames, IA (United States)
  2. Indian Inst. of Technology, Himachal Pradesh (India)
  3. Ames Lab., and Iowa State Univ., Ames, IA (United States)
  4. Univ. of Nebraska, Lincoln, NE (United States)
Publication Date:
Research Org.:
Ames Laboratory (AMES), Ames, IA (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Advanced Manufacturing Office (EE-5A)
OSTI Identifier:
1579930
Report Number(s):
IS-J-10090
Journal ID: ISSN 0304-8853
Grant/Contract Number:  
AC02-07CH11358; FG02-04ER46152
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Magnetism and Magnetic Materials
Additional Journal Information:
Journal Volume: 497; Journal Issue: C; Journal ID: ISSN 0304-8853
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; spin-gapless semiconductor; constrained spins; atomic moment; exchange-interaction constant

Citation Formats

Chaudhary, Renu, Kashyap, A., Paudyal, Durga, Sellmeyer, D. J., and Skomski, R. Non-Heisenberg magnetism in a quaternary spin-gapless semiconductor. United States: N. p., 2019. Web. doi:10.1016/j.jmmm.2019.166058.
Chaudhary, Renu, Kashyap, A., Paudyal, Durga, Sellmeyer, D. J., & Skomski, R. Non-Heisenberg magnetism in a quaternary spin-gapless semiconductor. United States. doi:10.1016/j.jmmm.2019.166058.
Chaudhary, Renu, Kashyap, A., Paudyal, Durga, Sellmeyer, D. J., and Skomski, R. Thu . "Non-Heisenberg magnetism in a quaternary spin-gapless semiconductor". United States. doi:10.1016/j.jmmm.2019.166058.
@article{osti_1579930,
title = {Non-Heisenberg magnetism in a quaternary spin-gapless semiconductor},
author = {Chaudhary, Renu and Kashyap, A. and Paudyal, Durga and Sellmeyer, D. J. and Skomski, R.},
abstractNote = {Understanding of spin-gapless semiconductors with fully spin-polarized charge carriers is critically important because of their promise for spintronic applications. Here, we report non-collinear spin structures, magnetic ground state, and effective exchange interactions of the spin-gapless semiconductor CoFeCrAl investigated with noncollinear density functional calculations. The ground state of CoFeCrAl is ferrimagnetic and has a spin configuration with ↓ Fe, ↑ Co and ↑ Cr spins. In our constrained calculations, the magnetizations of the Fe, Co, and Cr sublattices are rotated by various angles θ, which give rise to three sets of noncollinear spin structures. For all three elements, the magnetic energy increases with the angle, which reconfirms the ferrimagnetic spin structure. During rotation, the magnitudes of the Co and Cr spins remain almost unchanged, whereas that of Fe strongly decreases as a function of the angle θ. This indicates that the finite-temperature behavior of CoFeCrAl is characterized by a pronounced non-Heisenberg behavior of the ↓ Fe moments, whereas the ↑ Co and ↑ Cr moments are Heisenberg-like. Here, we discuss how this feature affects the finite-temperature behavior of the alloy beyond the commonly considered intersublattice Heisenberg exchange.},
doi = {10.1016/j.jmmm.2019.166058},
journal = {Journal of Magnetism and Magnetic Materials},
number = C,
volume = 497,
place = {United States},
year = {2019},
month = {11}
}

Journal Article:
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This content will become publicly available on November 21, 2020
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