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journal article·2016-11-01Open access

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

R. L. Zhang, L. Damewood, C. Y. Fong, L. H. Yang, R. W. Peng, C. Felser

AIP Advances· Volume 6· Issue 11
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Source abstract

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.
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Research context

Metals & alloys

OpenAlex topics: Heusler alloys: electronic and magnetic properties · Semiconductor materials and interfaces · Surface and Thin Film Phenomena

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Nanjing University 1 School of Physics and Collaborative Innovation Center of Advanced Microstructures, , Nanjing 210093, China

University of California 2 Department of Physics, , Davis, California 95616-8677, USA

Lawrence Livermore National Laboratory 3 Physics Division, , Livermore, California 94551, USA

Johannes Gutenberg-Universität Mainz 4 Institut für Anorganische Chemie und Analytische Chemie, , 55099 Mainz, Germany

Funding

the National Natural Science Foundation of China · the State Key Program for Basic Research from the Ministry of Science and Technology of China · the U.S. Department of Energy by Lawrence Livermore National Laboratory · China Scholarship Council

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