German, Raphael, Komleva, Evgenia V., Stein, Philipp, Mazurenko, Vladimir G., Wang, Zhiwei ORCID: 0000-0003-0182-2471, Streltsov, Sergey V., Ando, Yoichi ORCID: 0000-0002-3553-3355 and van Loosdrecht, Paul H. M. (2019). Phonon mode calculations and Raman spectroscopy of the bulk-insulating topological insulator BiSbTeSe2. Phys. Rev. Mater., 3 (5). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2475-9953

Full text not available from this repository.

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 R (3) over barm 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.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
German, RaphaelUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Komleva, Evgenia V.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Stein, PhilippUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Mazurenko, Vladimir G.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Wang, ZhiweiUNSPECIFIEDorcid.org/0000-0003-0182-2471UNSPECIFIED
Streltsov, Sergey V.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Ando, YoichiUNSPECIFIEDorcid.org/0000-0002-3553-3355UNSPECIFIED
van Loosdrecht, Paul H. M.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-148113
DOI: 10.1103/PhysRevMaterials.3.054204
Journal or Publication Title: Phys. Rev. Mater.
Volume: 3
Number: 5
Date: 2019
Publisher: AMER PHYSICAL SOC
Place of Publication: COLLEGE PK
ISSN: 2475-9953
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; SURFACE-STATE; BI2TE3; SB2TE3; BI2SE3Multiple languages
Materials Science, MultidisciplinaryMultiple languages
Refereed: Yes
URI: http://kups.ub.uni-koeln.de/id/eprint/14811

Downloads

Downloads per month over past year

Altmetric

Export

Actions (login required)

View Item View Item