1. Dimer rattling mode induced low thermal conductivity in an excellent acoustic conductor
- Author
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Sergey Danilkin, Koji Ohara, Xi Chen, Sakata Osami, Bing Li, Zhao Zhang, Yanna Chen, Liangwei Fu, Weijun Ren, Xiao-Ming Jiang, Z.J. Zhang, Ji Qi, Zhidong Zhang, Teng Yang, Guozhi Chai, Jiaqing He, Dehong Yu, Qiang Zhang, Baojuan Dong, Zhe Zhang, Satoshi Hiroi, Jianshi Zhou, and Jiaming He
- Subjects
Work (thermodynamics) ,Materials science ,Science ,Dimer ,FOS: Physical sciences ,General Physics and Astronomy ,02 engineering and technology ,Neutron scattering ,Two-dimensional materials ,010402 general chemistry ,01 natural sciences ,Article ,General Biochemistry, Genetics and Molecular Biology ,chemistry.chemical_compound ,Thermal conductivity ,Speed of sound ,lcsh:Science ,Condensed Matter - Materials Science ,Multidisciplinary ,Condensed matter physics ,Thermoelectric devices and materials ,Anharmonicity ,Materials Science (cond-mat.mtrl-sci) ,General Chemistry ,021001 nanoscience & nanotechnology ,3. Good health ,0104 chemical sciences ,Conductor ,chemistry ,lcsh:Q ,0210 nano-technology ,Order of magnitude - Abstract
A solid with larger sound speeds exhibits higher lattice thermal conductivity (k_{lat}). Diamond is a prominent instance where its mean sound speed is 14400 m s-1 and k_{lat} is 2300 W m-1 K-1. Here, we report an extreme exception that CuP2 has quite large mean sound speeds of 4155 m s-1, comparable to GaAs, but the single crystals show a very low lattice thermal conductivity of about 4 W m-1 K-1 at room temperature, one order of magnitude smaller than GaAs. To understand such a puzzling thermal transport behavior, we have thoroughly investigated the atomic structure and lattice dynamics by combining neutron scattering techniques with first-principles simulations. Cu atoms form dimers sandwiched in between the layered P atomic networks and the dimers vibrate as a rattling mode with frequency around 11 meV. This mode is manifested to be remarkably anharmonic and strongly scatters acoustic phonons to achieve the low k_{lat}. Such a dimer rattling behavior in layered structures might offer an unprecedented strategy for suppressing thermal conduction without involving atomic disorder., four figures and one table in the main text
- Published
- 2020
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