A half-metallic half-Heusler alloy having the largest atomic-like magnetic moment at optimized lattice constant

Zhang RL, Damewood L, Fong CY, Yang LH, Peng RW, Felser C (2016)

Publication Type: Journal article

Publication year: 2016

Journal

AIP Advances AIP Publishing

Book Volume: 6

Article Number: 115209

Journal Issue: 11

DOI: 10.1063/1.4967365

Abstract

For half-Heusler alloys, the general formula is XYZ, where X can be a transition or alkali metal element, Y is another transition metal element, typically Mn or Cr, and Z is a group IV element or a pnicitide. The atomic arrangements within a unit-cell show three configurations. Before this study, most of the predictions of half-metallic properties of half-Heusler alloys at the lattice constants differing from their optimized lattice constant. Based on the electropositivity of X and electronegativity of Z for half-Heusler alloys, we found that one of the configurations of LiCrS exhibits half-metallic properties at its optimized lattice constant of 5.803Å, and has the maximum atomic-like magnetic moment of 5μB. The challenges of its growth and the effects of the spin-orbit effect in this alloy will be discussed.

Involved external institutions

Nanjing University CN China (CN) University of California Davis (UCDAVIS) US United States (USA) (US) Lawrence Livermore National Laboratory US United States (USA) (US) Johannes Gutenberg-Universität Mainz (JGU) DE Germany (DE)

How to cite

APA:

Zhang, R.L., Damewood, L., Fong, C.Y., Yang, L.H., Peng, R.W., & Felser, C. (2016). A half-metallic half-Heusler alloy having the largest atomic-like magnetic moment at optimized lattice constant. AIP Advances, 6(11). https://doi.org/10.1063/1.4967365

MLA:

Zhang, R. L., et al. "A half-metallic half-Heusler alloy having the largest atomic-like magnetic moment at optimized lattice constant." AIP Advances 6.11 (2016).

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