Probing the effect of copper-ion mobility on the thermal conductivity of Cu2ZnGeSe4
Thermoelectric devices enable the conversion of thermal energy into electrical power. The development of new materials is essential to enable large scale implementation of thermoelectric technology. Diamond-like quaternary chalcogenides, including Cu2ZnGeSe4, are attracting considerable interest for their potential for thermoelectric energy recovery, as well as absorbers for solar cells. Cu2ZnGeSe4 exhibits an electronic transition at 473 K. Our analysis of variable-temperature neutron diffraction data (J. Mater. Chem. A, 2021) has revealed that an order-disorder transition, accompanied by the onset of copper ion mobility, occurs at this temperature. This transition results in a significant reduction in the lattice thermal conductivity of Cu2ZnGeSe4. Here, we seek to gain a better understanding of the effect of copper ionic mobility on the lattice thermal conductivity and the vibrational phonon modes of this material. In particular, we wish to investigate whether transverse vibrational phonon modes are eliminated due to the liquid-like nature of the mobile copper ions, or whether anharmonicity, arising from copper rattling, occurs.
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Paz Vaqueiro; MUKHERJEE Shriparna; OLLIVIER Jacques; POWELL Anthony; VONESHEN David and ZANOTTI Jean-Marc. (2023). Probing the effect of copper-ion mobility on the thermal conductivity of Cu2ZnGeSe4. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.7-03-215
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