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	Strong lattice anharmonicity securing intrinsically low lattice thermal conductivity and high performance thermoelectric SnSb2Te4 via Se alloying
	Wu, Hong1,2; Lu, Xu1; Wang, Guoyu2; Peng, Kunling3; Zhang, Bin3; Chen, Yongjin3; Gong, Xiangnan3; Tang, Xiaodan1; Zhang, Xuemei4; Feng, Zhenzhen4
	2020-10-01
摘要	Seeking a material with intrinsically low lattice thermal conductivity is crucial for screening high-performance thermoelectric (TE) materials. Here, the TE properties of SnSb2(Te1-xSex)4 (0 <= x <= 0.25) samples are systematically investigated for the first time. An intrinsically ultralow lattice thermal conductivity (similar to 0.56 W m(-1) K-1 at 320 K and similar to 0.46 W m(-1) K-1 at 720 K) has been observed in SnSb2Te4, which can be ascribed to the weak chemical bonding as well as the bond anharmonicity verified by first-principles calculations. Furthermore, alloying with Se enables the remarkable increase in the Seebeck coefficients, resulting from the optimized carrier concentrations due to the enlarged formation energy of intrinsic SnSb-type antisite defects along with the simultaneous enhancement of density-of-states effective mass from the convergence of multiple carrier pockets. As a result, a peak zT value of 0.5 at 720 K and a significant improvement in average zT (similar to 200%) in SnSb2(Te0.75Se0.25)(4) are achieved. This work not only demonstrates the potential of SnSb2Te4-based compounds for practical TE applications, but also provides an insightful guidance to improve TE performance by defect and electronic band engineering.
关键词	Thermoelectric SnSb2Te4 Band convergence Lattice anharmonicity Defects
DOI	10.1016/j.nanoen.2020.105084
发表期刊	NANO ENERGY
ISSN	2211-2855
卷号	76页码:10
通讯作者	Zhou, Xiaoyuan(xiaoyuan2013@cqu.edu.cn)
收录类别	SCI
WOS记录号	WOS:000573074100003
语种	英语