Non-Heisenberg magnetism in a quaternary spin-gapless semiconductor

Chaudhary, Renu; Kashyap, A.; Paudyal, Durga; Sellmeyer, D. J.; Skomski, R.

doi:10.1016/j.jmmm.2019.166058

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

Journal Article · 21 November 2019 · Journal of Magnetism and Magnetic Materials

DOI: https://doi.org/10.1016/j.jmmm.2019.166058 · OSTI ID:1579930

Chaudhary, Renu ^[1]; Kashyap, A. ^[2]; Paudyal, Durga ^[3]; Sellmeyer, D. J. ^[4]; Skomski, R. ^[4]

Indian Inst. of Technology, Himachal Pradesh (India); Univ. of Nebraska, Lincoln, NE (United States); Ames Lab., and Iowa State Univ., Ames, IA (United States)
Indian Inst. of Technology, Himachal Pradesh (India)
Ames Lab., and Iowa State Univ., Ames, IA (United States)
Univ. of Nebraska, Lincoln, NE (United States)

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.

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Research Organization:: Ames Laboratory (AMES), Ames, IA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Advanced Manufacturing Office (EE-5A)

Grant/Contract Number:: AC02-07CH11358; FG02-04ER46152

OSTI ID:: 1579930

Report Number(s):: IS-J--10090

Journal Information:: Journal of Magnetism and Magnetic Materials, Journal Name: Journal of Magnetism and Magnetic Materials Journal Issue: C Vol. 497; ISSN 0304-8853

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
atomic moment
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exchange-interaction constant
spin-gapless semiconductor

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

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