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Phonon-induced topological transition to a type-II Weyl semimetal

TitlePhonon-induced topological transition to a type-II Weyl semimetal
Publication TypeJournal Article
Year of Publication2017
AuthorsWang, LL, Jo, NH, Wu, Y, Wu, Q, Kaminski, A, Canfield, PC, Johnson, DD
JournalPhysical Review B
Volume95
Pagination165114
Date Published04
Type of ArticleArticle
ISBN Number2469-9950
Accession NumberWOS:000401766200006
Keywordsclusters, discovery, Fermi arcs, metals, physics, points, simple scheme, surface-band calculations, total-energy calculations, wannier functions, wave basis-set
Abstract

Given the importance of crystal symmetry for the emergence of topological quantum states, we have studied, as exemplified in NbNiTe2, the interplay of crystal symmetry, atomic displacements (lattice vibration), band degeneracy, and band topology. For the NbNiTe2 structure in space-group 53 (Pmna)-having an inversion center arising from two glide planes and one mirror plane with a twofold rotation and screw axis-a full gap opening exists between two band manifolds near the Fermi energy. Upon atomic displacements by optical phonons, the symmetry lowers to space-group 28(Pma2), eliminating one glide plane along c, the associated rotation and screw axis, and the inversion center. As a result, 20 Weyl points emerge, including four type-II Weyl points in the Gamma-X direction at the boundary between a pair of adjacent electron and hole bands. Thus, optical phonons may offer control of the transition to a Weyl fermion state.

DOI10.1103/PhysRevB.95.165114
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Complex States

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Materials Phase Transformation

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LDRD

Alternate JournalPhys. Rev. B