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Engineering the Topological Phase of Half Heusler Compounds by Computer

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Abstract:

Band inversion mechanisms of half Heusler compouds XMBi (X=Sc, Y, Lu, La, M=Pd, Pt) is investigated under different conditions, based on first-principles calculations with generalized gradient approximation approach. The results shown that Spin-orbit coupling, however, is not the leading cause but an account can add further fuel to the band inversion. The present finding provides an effective scheme to search for topologically nontrivial materials.

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Info:

Periodical:

Applied Mechanics and Materials (Volumes 713-715)

Pages:

2695-2698

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.713-715.2695

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Cite this paper

Online since:

January 2015

Authors:

L.Y. Wang*, S. Gao

Keywords:

Half Heusler Compounds, Spin-Orbit Coupling, Topological Insulators

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© 2015 Trans Tech Publications Ltd. All Rights Reserved

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