期刊
NATURE COMMUNICATIONS
卷 11, 期 1, 页码 -出版社
NATURE RESEARCH
DOI: 10.1038/s41467-020-19044-w
关键词
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资金
- National Natural Science Foundation of China [11934007, 11804346]
- Key Research Program of Frontier Sciences, Chinese Academy of Sciences [ZDBS-LY-JSC002]
- Liaoning Revitalization Talents Program [XLYC1807122]
- NSF [MRSEC DMR-1720595]
A solid with larger sound speeds usually exhibits higher lattice thermal conductivity. Here, we report an exception that CuP2 has a quite large mean sound speed of 4155ms(-1), comparable to GaAs, but single crystals show very low lattice thermal conductivity of about 4Wm(-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 structures and lattice dynamics by combining neutron scattering techniques with first-principles simulations. This compound crystallizes in a layered structure where Cu atoms forming dimers are sandwiched in between P atomic networks. In this work, we reveal that Cu atomic dimers vibrate as a rattling mode with frequency around 11meV, which is manifested to be remarkably anharmonic and strongly scatters acoustic phonons to achieve the low lattice thermal conductivity.
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