Publication Date

2-2-2021

Department

Ames Laboratory; Electrical and Computer Engineering

Campus Units

Ames Laboratory, Electrical and Computer Engineering

OSTI ID+

1765700

Report Number

IS-J 10413

DOI

10.1016/j.jallcom.2021.158906

Journal Title

Journal of Alloys and Compounds

Volume Number

867

First Page

158906

Abstract

Electronic structure, and magnetic and structural properties of quaternary Heusler alloys ZrRhTiZ (Z = Al, In) have been analyzed from first principles calculations. The ferromagnetic ground state and thermodynamical stability of these compounds are supported by relative total energies, and by derived formation and cohesive energies, respectively. The investigated Curie temperatures of the compounds exceed room temperature indicating that these compounds are promising candidates for beyond room temperature spintronics and magneto-electronics applications. Both compounds follow the Slater-Pauling 18 electron rule and exhibit half-metallic ferromagnetic behavior with magnetic moments of 2 μB with 100% spin polarization in one spin channel at the Fermi-level. The effect of uniform strain on half-metallicity of these compounds inverts the band gap from one spin channel to another spin channel with a mixed spin (magnetic moment) regime that can be mapped to an exchange bias like effect observed in some of the magnetic Heusler compounds. The half metallic ferromagnetic behavior is retained within −2 to 2% strain contrasting with the anomalous spin flip in −1% and 1% strain in ZrRhTiZ (Z = Al, In).

Language

en

Publisher

Iowa State University Digital Repository, Ames IA (United States)

Available for download on Wednesday, February 02, 2022

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