Lifshitz transitions and hybrid Weyl points in RbAg5Se3

We explore the topological phase transitions of RbAg5Se3 using first-principles calculations in combination with the maximally localized Wannier function method. Our computations reveal that the type-II Dirac cone in RbAg5Se3 protected by the inversion and time-inversion (PT) symmetry in addition to...

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Veröffentlicht in:New journal of physics 2022-11, Vol.24 (11), p.113026
Hauptverfasser: Fan, Xuejia, Lu, Yiming, Liu, Jian, Ma, Xikui, Sun, Lei, Li, Yangyang, Zhao, Mingwen
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Sprache:eng
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Zusammenfassung:We explore the topological phase transitions of RbAg5Se3 using first-principles calculations in combination with the maximally localized Wannier function method. Our computations reveal that the type-II Dirac cone in RbAg5Se3 protected by the inversion and time-inversion (PT) symmetry in addition to the C4z rotation symmetry can be regulated to type-III and type-I Dirac points by applying strain along the [001] direction. More interestingly, when the inversion symmetry is lifted by intercalating a Pt atom into the unit cell, sixteen hybrid Weyl points emerge accompanied by the Fermi arcs connecting the adjacent Brillouin zones and surface states on the (010) surface. The type-II Weyl point has the chirality of 1, while the type-I Weyl point has the chirality of −1. Our work suggests that RbAg5Se3 serves as a promising platform for study of topological phases transitions with curious transport phenomena.
ISSN:1367-2630
DOI:10.1088/1367-2630/ac9fea