Universität zu Köln

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:	Creators Email ORCID ORCID Put Code German, Raphael UNSPECIFIED UNSPECIFIED UNSPECIFIED Komleva, Evgenia V. UNSPECIFIED UNSPECIFIED UNSPECIFIED Stein, Philipp UNSPECIFIED UNSPECIFIED UNSPECIFIED Mazurenko, Vladimir G. UNSPECIFIED UNSPECIFIED UNSPECIFIED Wang, Zhiwei UNSPECIFIED orcid.org/0000-0003-0182-2471 UNSPECIFIED Streltsov, Sergey V. UNSPECIFIED UNSPECIFIED UNSPECIFIED Ando, Yoichi UNSPECIFIED orcid.org/0000-0002-3553-3355 UNSPECIFIED van Loosdrecht, Paul H. M. UNSPECIFIED UNSPECIFIED UNSPECIFIED
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:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Physics > Institute of Physics II
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; SURFACE-STATE; BI2TE3; SB2TE3; BI2SE3 Multiple languages Materials Science, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/14811