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Bond-breaking induced Lifshitz transition in robust Dirac semimetal VAI3.


ABSTRACT: Topological electrons in semimetals are usually vulnerable to chemical doping and environment change, which restricts their potential application in future electronic devices. In this paper, we report that the type-II Dirac semimetal [Formula: see text] hosts exceptional, robust topological electrons which can tolerate extreme change of chemical composition. The Dirac electrons remain intact, even after a substantial part of V atoms have been replaced in the [Formula: see text] solid solutions. This Dirac semimetal state ends at [Formula: see text], where a Lifshitz transition to p-type trivial metal occurs. The V-Al bond is completely broken in this transition as long as the bonding orbitals are fully depopulated by the holes donated from Ti substitution. In other words, the Dirac electrons in [Formula: see text] are protected by the V-Al bond, whose molecular orbital is their bonding gravity center. Our understanding on the interrelations among electron count, chemical bond, and electronic properties in topological semimetals suggests a rational approach to search robust, chemical-bond-protected topological materials.

SUBMITTER: Liu Y 

PROVIDER: S-EPMC7355027 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature

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Bond-breaking induced Lifshitz transition in robust Dirac semimetal VAI<sub>3</sub>.

Liu Yiyuan Y   Liu Yu-Fei YF   Gui Xin X   Xiang Cheng C   Zhou Hui-Bin HB   Hsu Chuang-Han CH   Lin Hsin H   Chang Tay-Rong TR   Xie Weiwei W   Jia Shuang S  

Proceedings of the National Academy of Sciences of the United States of America 20200618 27


Topological electrons in semimetals are usually vulnerable to chemical doping and environment change, which restricts their potential application in future electronic devices. In this paper, we report that the type-II Dirac semimetal [Formula: see text] hosts exceptional, robust topological electrons which can tolerate extreme change of chemical composition. The Dirac electrons remain intact, even after a substantial part of V atoms have been replaced in the [Formula: see text] solid solutions.  ...[more]

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