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Thermal transport in CuCr.sub.2./sub.X.sub.4./sub. (X=S,Se,Te): Experiment and ab initio calculations
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SYSNO ASEP 0546382 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Thermal transport in CuCr2X4 (X=S,Se,Te): Experiment and ab initio calculations Author(s) Ahn, Kyo-Hoon (FZU-D) ORCID
Soroka, Miroslav (FZU-D) ORCID
Levinský, Petr (FZU-D) RID, ORCID
Knížek, Karel (FZU-D) RID, ORCID
Hejtmánek, Jiří (FZU-D) RID, ORCID
Kucek, V. (CZ)
Navrátil, J. (CZ)Number of authors 7 Article number 085146 Source Title Physical Review B. - : American Physical Society - ISSN 2469-9950
Roč. 104, č. 8 (2021)Number of pages 10 s. Language eng - English Country US - United States Keywords Nerns effect ; Seebeck efect Subject RIV BM - Solid Matter Physics ; Magnetism OECD category Condensed matter physics (including formerly solid state physics, supercond.) R&D Projects GA18-12761S GA ČR - Czech Science Foundation (CSF) GA19-06433S GA ČR - Czech Science Foundation (CSF) LM2018096 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Research Infrastructure e-INFRA CZ - 90140 - CESNET, zájmové sdružení právnických osob Method of publishing Limited access Institutional support FZU-D - RVO:68378271 UT WOS 000688493300003 EID SCOPUS 85114019418 DOI 10.1103/PhysRevB.104.085146 Annotation We present a combined experimental and theoretical study of the longitudinal and transverse thermoelectric properties of ferrimagnetic spinels CuCr2X4 (X = S, Se, Te). The thermoelectric power of all studied phases is positive and consists of two contributions, an almost linear diffusive thermopower observed at high temperature,and a strong enhancement below TC attributed to magnon drag. The diffusive part of thermopower and resistivity decreases from X = S to Te, whereas the magnon drag enhancement is the biggest for X = Se, which has also the highest TC. The thermopower was calculated by DFT method using GGA, GGA + U, GGA+oeeHyb, and mBJ potentials. A good agreement with the experimental thermopower was achieved using GGA potential for X = S and with mBJ potential for X = Te. T Workplace Institute of Physics Contact Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Year of Publishing 2022 Electronic address https://doi.org/10.1103/PhysRevB.104.085146
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