Thermal transport in CuCr.sub.2./sub.X.sub.4./sub. (X=S,Se,Te): Experiment and ab initio calculations

0546382 - FZÚ 2022 RIV US eng J - Journal Article
Ahn, Kyo-Hoon - Soroka, Miroslav - Levinský, Petr - Knížek, Karel - Hejtmánek, Jiří - Kucek, V. - Navrátil, J.
Thermal transport in CuCr₂X₄ (X=S,Se,Te): Experiment and ab initio calculations.
Physical Review B. Roč. 104, č. 8 (2021), č. článku 085146. ISSN 2469-9950. E-ISSN 2469-9969
R&D Projects: GA ČR GA18-12761S; GA ČR(CZ) GA19-06433S; GA MŠMT(CZ) LM2018096
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:68378271
Keywords : Nerns effect * Seebeck efect
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.908, year: 2021
Method of publishing: Limited access
https://doi.org/10.1103/PhysRevB.104.085146

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
Permanent Link: http://hdl.handle.net/11104/0323212