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Topological electronic structure and Weyl semimetal in the TlBiSe2class of semiconductors
Open accessAbstract
We present an analysis of bulk and surface electronic structures of thallium-based ternary III-V-VI${}_{2}$ series of compounds TlMQ${}_{2}$, where $\mathrm{M}=\mathrm{Bi}$ or Sb and $\mathrm{Q}=\mathrm{S}$, Se, or Te, using the ab initio density functional theory framework. Based on parity analysis and (111) surface electronic structure, we predict TlSbSe${}_{2}$, TlSbTe${}_{2}$, TlBiSe${}_{2}$, and TlBiTe${}_{2}$ to be nontrivial topological insulators with a single Dirac cone at the $\ensuremath{\Gamma}$ point and TlSbS${}_{2}$ and TlBiS${}_{2}$ to be trivial band insulators. Our predicted topological phases agree well with available angle-resolved photoemission spectroscopy measurements, in particular, the topological phase changes between TlBiSe${}_{2}$ and TlBiS${}_{2}$. Moreover, we propose that Weyl semimetal can be realized at the topological critical point in TlBi(S${}_{1\ensuremath{-}x}$Se${}_{x}$)${}_{2}$ and TlBi(S${}_{1\ensuremath{-}x}$Te${}_{x}$)${}_{2}$ alloys by breaking the inversion symmetry in the layer-by-layer growth in the order Tl-Se(Te)-Bi-S, yielding six Dirac cones centered along the $\ensuremath{\Gamma}$-$L$ directions in the bulk band structure.
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Discovery of a Weyl fermion semimetal and topological Fermi arcs
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“Recently, it was understood that a Weyl fermion can emerge as a quasiparticle in certain crystals, Weyl fermion semimetals (1-22).”
BackgroundSelf-citationWeyl Semimetal Phase in Noncentrosymmetric Transition-Metal Monophosphides
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Self-citationA Weyl Fermion semimetal with surface Fermi arcs in the transition metal monopnictide TaAs class
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Self-citation
Metadata
- Authors
- Singh, B., Sharma, A., Lin, H., Hasan, M. Z., Prasad, R., & Bansil, A.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2012-09-18
- Volume
- 86
- Issue
- 11
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2016035364
- Cited by
- 158
- References
- 14
- FWCI
- 5.82
- Type
- journal article
- Language
- en
- Open access
- green
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