Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/101757
Title: Phonon mode calculations and Raman spectroscopy of the bulk-insulating topological insulator BiSbTeSe2
Authors: German, R.
Komleva, E. V.
Stein, P.
Mazurenko, V. G.
Wang, Z.
Streltsov, S. V.
Ando, Y.
Van, Loosdrecht, P. H. M.
Issue Date: 2019
Publisher: American Physical Society
Citation: Phonon mode calculations and Raman spectroscopy of the bulk-insulating topological insulator BiSbTeSe2 / R. German, E. V. Komleva, P. Stein, et al. — DOI 10.1103/PhysRevMaterials.3.054204 // Physical Review Materials. — 2019. — Vol. 3. — Iss. 5. — 054204.
Abstract: The tetradymite compound BiSbTeSe2 is one of the most bulk-insulating three-dimensional topological insulators, which makes it important in topological insulator research. It is a member of the solid-solution system Bi2-xSbxTe3-ySey, for which the local crystal structure, such as the occupation probabilities of each atomic site, is not well understood. We have investigated the temperature- and polarization-dependent spontaneous Raman scattering in BiSbTeSe2, revealing a much higher number of lattice vibrational modes than predicted by group-theoretical considerations for the space group R3m corresponding to an ideally random solid-solution situation. The density-functional calculations of phonon frequencies show a very good agreement with experimental data for parent material Bi2Te3, where no disorder effects were found. In comparison to Bi2Te3 the stacking disorder in BiSbTeSe2 causes a discrepancy between theory and experiment. Combined analysis of experimental Raman spectra and density-functional-theory-calculated phonon spectra for different types of atomic orders showed coexistence of different sequences of layers in the material and that those with Se in the center and a local order of Se-Bi-Se-Sb-Te are the most favored. © 2019 American Physical Society.
Keywords: ANTIMONY COMPOUNDS
CRYSTAL ATOMIC STRUCTURE
DENSITY FUNCTIONAL THEORY
ELECTRIC INSULATORS
GROUP THEORY
PHONONS
RAMAN SCATTERING
SELENIUM COMPOUNDS
SOLID SOLUTIONS
TELLURIUM COMPOUNDS
TOPOLOGICAL INSULATORS
COMBINED ANALYSIS
LATTICE VIBRATIONAL
OCCUPATION PROBABILITY
PARENT MATERIALS
PHONON FREQUENCIES
SOLID SOLUTION SYSTEM
SPONTANEOUS RAMAN SCATTERING
STACKING DISORDERS
BISMUTH COMPOUNDS
URI: http://hdl.handle.net/10995/101757
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85065976685
PURE ID: 9818596
318b6ab4-bdee-4a34-ac56-0e304f2558cc
ISSN: 24759953
DOI: 10.1103/PhysRevMaterials.3.054204
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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