Two prospective Li-based half-Heusler alloys for spintronic applications based on structural stability and spin-orbit effect

Zhang RL, Damewood L, Zeng YJ, Xing HZ, Fong CY, Yang LH, Peng RW, Felser C (2017)

Publication Type: Journal article

Publication year: 2017

Journal

Journal of Applied Physics AIP Publishing

Book Volume: 122

Article Number: 013901

Journal Issue: 1

DOI: 10.1063/1.4989989

Abstract

To search for half-metallic materials for spintronic applications, instead of using an expensive trial-and-error experimental scheme, it is more efficient to use first-principles calculations to design materials first, and then grow them. In particular, using a priori information of the structural stability and the effect of the spin-orbit interaction (SOI) enables experimentalists to focus on favorable properties that make growing half-metals easier. We suggest that using acoustic phonon spectra is the best way to address the stability of promising half-metallic materials. Additionally, by carrying out accurate first-principles calculations, we propose two criteria for neglecting the SOI so the half-metallicity persists. Based on the mechanical stability and the negligible SOI, we identified two half-metals, β-LiCrAs and β-LiMnSi, as promising half-Heusler alloys worth growing.

Involved external institutions

Nanjing University CN China (CN) University of California Davis (UCDAVIS) US United States (USA) (US) Donghua University / 东华大学 CN China (CN) 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., Zeng, Y.J., Xing, H.Z., Fong, C.Y., Yang, L.H.,... Felser, C. (2017). Two prospective Li-based half-Heusler alloys for spintronic applications based on structural stability and spin-orbit effect. Journal of Applied Physics, 122(1). https://doi.org/10.1063/1.4989989

MLA:

Zhang, R. L., et al. "Two prospective Li-based half-Heusler alloys for spintronic applications based on structural stability and spin-orbit effect." Journal of Applied Physics 122.1 (2017).

BibTeX: Download