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arXiv · 1808.04748

Screening potential topological insulators in half-Heusler compounds via compressed-sensing

Jianghui Liu·Guohua Cao·Zizhen Zhou·Huijun Liu
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Abstract

Ternary half-Heusler compounds with widely tunable electronic structures, present a new platform to discover topological insulators. Due to time-consuming computations and synthesis procedures, the identification of new topological insulators is however a rough task. Here, we adopt a compressed-sensing approach to rapidly screen potential topological insulators in half-Heusler family, which is realized via a two-dimensional descriptor that only depends on the fundamental properties of the constituent atoms. Beyond the finite training data, the proposed descriptor is employed to screen many new half-Heusler compounds, including those with integer and fractional stoichiometry, and a larger number of possible topological insulators are predicted.

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Jianghui Liu, Guohua Cao, Zizhen Zhou, Huijun Liu. 2018-08-14. Screening potential topological insulators in half-Heusler compounds via compressed-sensing. https://arxiv.org/abs/1808.04748

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