TY - JOUR

T1 - Transport properties of topologically non-trivial bismuth tellurobromides BinTeBr

AU - Pabst, Falk

AU - Hobbis, Dean

AU - Alzahrani, Noha

AU - Wang, Hsin

AU - Rusinov, I. P.

AU - Chulkov, E. V.

AU - Martin, Joshua

AU - Ruck, Michael

AU - Nolas, George S.

N1 - Funding Information: The authors acknowledge Dr. Anna Isaeva for fruitful discussions and suggestions. This work was supported by the ERASMUS+ ICM WORLDWIDE exchange program funded by the European Union. F.P. and M.R. acknowledge financial support from the Deutsche Forschungsgemeinschaft (DFG) through the Würzburg-Dresden Cluster of Excellence on Complexity and Topology in Quantum Matter—ct.qmat (EXC 2147, Project No. 39085490). G.S.N. acknowledges the support from the U.S. National Science Foundation (NSF) under Grant No. DMR-1748188. D.H. acknowledges the II-VI Foundation Block-Gift Program. H.W. acknowledges the support of the assistant secretary of Energy Efficiency and Renewable Energy and the Materials Program under the Vehicle Technologies Program. Oak Ridge National Laboratory is managed by UT-Batelle LLC under Contract No. DE-AC05000OR22725. I.P.R. acknowledges the support from the Ministry of Education and Science of the Russian Federation within the framework of the governmental program “Megagrants” (State Task No. 3.8895.2017/P220) (for theoretical investigation of thermoelectric properties of Bi 3 TeBr), Academic D. I. Mendeleev Fund Program of Tomsk State University (Project No. 8.1.01.2018), and by the Russian Science Foundation No. 18-12-00169 (for theoretical investigation of thermoelectric properties of Bi 2 TeBr); E.V.C. and I.P.R. also acknowledge the support from Saint Petersburg State University (Project No. 15.61.202.2015). Publisher Copyright: © 2019 Author(s). Copyright: Copyright 2019 Elsevier B.V., All rights reserved.

PY - 2019/9/14

Y1 - 2019/9/14

N2 - Temperature-dependent transport properties of the recently discovered layered bismuth-rich tellurobromides BinTeBr (n = 2, 3) are investigated for the first time. Dense homogeneous polycrystalline specimens prepared for different electrical and thermal measurements were synthesized by a ball milling-based process. While the calculated electronic structure classifies Bi2TeBr as a semimetal with a small electron pocket, its transport properties demonstrate a semiconductorlike behavior. Additional bismuth bilayers in the Bi3TeBr crystal structure strengthens the interlayer chemical bonding thus leading to metallic conduction. The thermal conductivity of the semiconducting compositions is low, and the electrical properties are sensitive to doping with a factor of four reduction in resistivity observed at room temperature for only 3% Pb doping. Investigation of the thermoelectric properties suggests that optimization for thermoelectrics may depend on particular elemental substitution. The results presented are intended to expand on the research into tellurohalides in order to further advance the fundamental investigation of these materials, as well as investigate their potential for thermoelectric applications.

AB - Temperature-dependent transport properties of the recently discovered layered bismuth-rich tellurobromides BinTeBr (n = 2, 3) are investigated for the first time. Dense homogeneous polycrystalline specimens prepared for different electrical and thermal measurements were synthesized by a ball milling-based process. While the calculated electronic structure classifies Bi2TeBr as a semimetal with a small electron pocket, its transport properties demonstrate a semiconductorlike behavior. Additional bismuth bilayers in the Bi3TeBr crystal structure strengthens the interlayer chemical bonding thus leading to metallic conduction. The thermal conductivity of the semiconducting compositions is low, and the electrical properties are sensitive to doping with a factor of four reduction in resistivity observed at room temperature for only 3% Pb doping. Investigation of the thermoelectric properties suggests that optimization for thermoelectrics may depend on particular elemental substitution. The results presented are intended to expand on the research into tellurohalides in order to further advance the fundamental investigation of these materials, as well as investigate their potential for thermoelectric applications.

UR - http://www.scopus.com/inward/record.url?scp=85072191285&partnerID=8YFLogxK

U2 - 10.1063/1.5116369

DO - 10.1063/1.5116369

M3 - Article

AN - SCOPUS:85072191285

VL - 126

JO - Journal of Applied Physics

JF - Journal of Applied Physics

SN - 0021-8979

IS - 10

M1 - 105105

ER -