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Three-dimensional topological insulators: case of quaternary Heusler compounds

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Abstract

The feasibility of converting quaternary Heusler compounds XX’MZ (X=Sc, La; X’=Sc, Y; M=Ru, Fe; Z=Pb) into three-dimensional topological insulators was investigated by first-principle calculations. It is found that the topological insulating state can be achieved in these quaternary Heusler compounds by the proper strain engineering or the substitution of elements. Most of these compounds investigated in this paper have a negative formation energy, which implies that they are possible to be synthesized in reality.

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Acknowledgments

This study was financially supported by the National Natural Science Foundation of China (Nos. 51271071 and 11204064), the Ministry of Education Program for New Century Excellent Talents of China (No. NCET-10-0126), the 100 Excellent Innovative Talents Program of Hebei Province, and Hebei Province Higher Education Science and Technology Research Foundation for Youth Scholars (No. Q2012008).

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Authors and Affiliations

  1. School of Material Sciences and Engineering, Hebei University of Technology, Tianjin, 300130, China

    Xiao-Tian Wang, Xue-Fang Dai, Hong-Ying Jia, Li-Ying Wang & Guo-Dong Liu

  2. College of Chemistry and Chemical Engineering, Hunan University, Changsha, 410082, China

    Xi-Feng Liu

  3. Department of Chemistry, Michigan State University, East Lansing, Michigan, 48824, USA

    Xi-Feng Liu & Wen Yuan

  4. School of Physics and Electronic Engineering, Chongqing Normal University, Chongqing, 400044, China

    Yu-Ting Cui

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  1. Xiao-Tian Wang
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  2. Xue-Fang Dai
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  3. Hong-Ying Jia
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  4. Li-Ying Wang
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  5. Guo-Dong Liu
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Correspondence to Guo-Dong Liu.

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Wang, XT., Dai, XF., Jia, HY. et al. Three-dimensional topological insulators: case of quaternary Heusler compounds. Rare Met. 40, 1219–1223 (2021). https://doi.org/10.1007/s12598-014-0421-1

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