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Ultralow Lattice Thermal Conductivity of Cubic CuFeS2 Induced by Atomic Disorder
Zhang, De1,2; Zhang, Bin3; Zhou, ZiZhen1,2; Peng, Kunling1,2; Wu, Hong1,2; Wang, Hengyang4; Wang, Guiwen3; Han, Guang4; Wang, Guoyu5; Zhou, Xiaoyuan1,2,3
2021-12-15
摘要Lattice thermal conductivity is of great importance to design high-performance thermoelectric (TE) materials. In chalcopyrite (CuFeS2) with an ordered tetragonal structure, which is an environmentally friendly TE material, the lattice thermal conductivity is as high as 9.0 W m(-1) K-1 at 300 K. Here, we demonstrate that the lattice thermal conductivity of CuFeS2 is significantly reduced from 9.0 to 1.5 W m(-1) K-1 by the phase regulation at ambient temperature, in which the tetragonal structure is transformed to the cubic structure. It is verified that the dramatically reduced lattice thermal conductivity essentially originates from the enlargement of the Gruneisen parameter caused by disordered atom rearrangement and lattice distortion. By further alloying with Al, the lattice thermal conductivity of the cubic CuFeS2 polycrystalline compound approaches a predicted glass limit value of 0.45 W m(-1) K-1 at 723 K. The results highlight the potential of realizing low lattice thermal conductivity by atomic disorder in TE compounds with intrinsically high lattice thermal conductivity.
DOI10.1021/acs.chemmater.1c03785
发表期刊CHEMISTRY OF MATERIALS
ISSN0897-4756
页码8
通讯作者Zhou, Xiaoyuan(xiaoyuan2013@cqu.edu.cn) ; Lu, Xu(luxu@cqu.edu.cn)
收录类别SCI
WOS记录号WOS:000733839200001
语种英语