Lattice dynamics of thermoelectric palladium sulfide

doi:10.1016/j.jallcom.2019.05.280

	Lattice dynamics of thermoelectric palladium sulfide
	Chen, Liu-Cheng; Peng, Qing; Yu, Hao; Pang, Hong-Jie; Jiang, Bin-Bin; Su, Lei; Shi, Xun; Chen, Li-Dong; Chen, Xiao-Jia
刊名	JOURNAL OF ALLOYS AND COMPOUNDS
	2019-08-25
卷号	798 页码:484
关键词	Palladium sulfide X-ray diffraction Raman spectra Ab initio calculations
ISSN号	0925-8388
DOI	10.1016/j.jallcom.2019.05.280
文献子类	Article
英文摘要	Highly efficient thermoelectric materials always have low thermal conductivities. Their phonon spectrum information is essential for understanding the procedure of thermal transport on thermoelectrics. Recently, palladium sulfide was found to be a potential thermoelectric material. However, the high thermal conductivity limits its thermoelectric performance and technological applications. Here, the phonon dispersion and phonon density of state in PdS are presented by using the first-principles theory. The phonon modes are assigned and compared with experiments. The evolution of optical modes with pressure is studied by using Raman spectroscopy. The low-energy and high-energy phonon bands are related to the vibrations of the heavy atom and the light atom, respectively. By combining Raman scattering and X-ray diffraction measurements, we obtain the mode-Grfineisen parameters for the detected phonon modes. The small mode-Grfineisen parameters indicate a weak anharmonicity in this material. This offers an explanation for its high thermal conductivity. The evolution of linewidths with pressure accounts for the decrease of the thermal conductivity upon compression. (C) 2019 Elsevier B.V. All rights reserved.
WOS研究方向	Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
语种	英语
出版者	ELSEVIER SCIENCE SA
内容类型	期刊论文
源URL	[http://ir.sic.ac.cn/handle/331005/26891]
专题	中国科学院上海硅酸盐研究所
推荐引用方式 GB/T 7714	Chen, Liu-Cheng,Peng, Qing,Yu, Hao,et al. Lattice dynamics of thermoelectric palladium sulfide[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2019,798:484.
APA	Chen, Liu-Cheng.,Peng, Qing.,Yu, Hao.,Pang, Hong-Jie.,Jiang, Bin-Bin.,...&Chen, Xiao-Jia.(2019).Lattice dynamics of thermoelectric palladium sulfide.JOURNAL OF ALLOYS AND COMPOUNDS,798,484.
MLA	Chen, Liu-Cheng,et al."Lattice dynamics of thermoelectric palladium sulfide".JOURNAL OF ALLOYS AND COMPOUNDS 798(2019):484.