Crystal structure and transport properties of CuPdBiS3

0504727 - ÚMCH 2020 RIV NL eng J - Journal Article
Laufek, F. - Vymazalová, A. - Navrátil, Jiří - Chareev, D. A. - Plášil, Jakub
Crystal structure and transport properties of CuPdBiS3.
Journal of Alloys and Compounds. Roč. 792, 5 July (2019), s. 983-987. ISSN 0925-8388. E-ISSN 1873-4669
R&D Projects: GA ČR(CZ) GA16-07711S
Institutional support: RVO:61389013 ; RVO:68378271
Keywords : CuPdBiS3 * crystal structure * X-ray diffraction
OECD category: Inorganic and nuclear chemistry; Condensed matter physics (including formerly solid state physics, supercond.) (FZU-D)
Impact factor: 4.650, year: 2019
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S0925838819313994?via%3Dihub

The CuPdBiS3 compound was synthetized from individual elements by solid-state chemical reactions and structurally characterized by single-crystal X-ray diffraction. It crystalizes in the (Bi,Sb)CuNiS3 structure-type with the P212121 space group, unit-cell parameters a = 4.8847(8), b = 7.5885(11), c = 12.8646(10), V = 476.86(11) and Z = 4. The structure of CuPdBiS3 compound forms a three-dimensional framework composed of corner-sharing [CuS4] deformed tetrahedra and [PdS4] squares. The Bi atoms form [BiS4] pyramids and fill the channels running along the a-axis. There are no short Pd-Pd, Cu-Pd or Cu-Cu interactions (<3.4 Å). Arrhenius behaviour of the electrical conductivity was observed. Considering high free carrier concertation and very low Hall mobility, charge transport is very likely realized via thermally-activated hopping processes. Despite high values of the Seebeck coefficient and rather low thermal conductivity values, the thermoelectric figure-of-merit reaches its maximal value ZT = 0.023 at 675 K only.
Permanent Link: http://hdl.handle.net/11104/0296298