Dynamic process of the resonant phonon scattering in fully filled skutterudites

doi:10.1103/PhysRevB.98.054304

	Dynamic process of the resonant phonon scattering in fully filled skutterudites
	Wang, Yancheng 1; Yang, Hongliang 1,2,3; Qiu, Wujie ; Yang, Jiong 4; Yang, Jihui 5; Zhang, Wenqing 2,3
刊名	PHYSICAL REVIEW B
	2018
卷号	98 期号:5
ISSN号	2469-9950
DOI	10.1103/PhysRevB.98.054304
英文摘要	The dynamics of the phonon scattering caused by the guest-host interactions in fully filled skutterudites (Yb, La, Ba) Fe4Sb12 are studied by ab initio molecular dynamics. The characteristics of filler vibrations are found to be the origin of ultralow lifetimes for the filler-dominant modes. Under the phonon-phonon interaction diagram, the large amplitudes of the filler vibrations and the coupling between filler and framework phonon modes greatly increase the strength of phonon scatterings. The lattice thermal conductivities for the three skutterudites, however, are all overestimated comparing with the experimental results. The introduction of the resonant scattering is thus necessary to account for the deviations. Furthermore, by applying the wavelet-based analysis to the resonant scattering process, the time-frequency power spectrum shows clearly that the time-varying localized motions of the fillers periodically absorb the heat-carrying lattice phonons and emit them. This process is the origin of the resonant scattering mechanism in skutterudites, and strongly interferes with the propagation of phonons near the frequency range of the fillers.
学科主题	Physics, Condensed Matter
出版者	AMER PHYSICAL SOC
WOS记录号	WOS:000441201400003
资助机构	This work is supported by the National Key Research and Development Program of China (Grant No. 2017YFB0701600), the National Natural Science Foundation of China (Grants No. 51632005, No. 51572167, No. 11574333, and No. 11674211) and the Program of Shanghai Subject Chief Scientist (Grant No. 16XD1401100). W.Z. acknowledges the support from Guangdong Innovation Research Team Project (Grant No. 2017ZT07C062) and Shenzhen Pengcheng-Scholarship program, and the fruitful discussion with Dr. Brian C. Sales from Oak Ridge National Laboratory. J.Y. acknowledges the supports from the Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning (No. TP2015041) and 111 Project (No. D16002). ; This work is supported by the National Key Research and Development Program of China (Grant No. 2017YFB0701600), the National Natural Science Foundation of China (Grants No. 51632005, No. 51572167, No. 11574333, and No. 11674211) and the Program of Shanghai Subject Chief Scientist (Grant No. 16XD1401100). W.Z. acknowledges the support from Guangdong Innovation Research Team Project (Grant No. 2017ZT07C062) and Shenzhen Pengcheng-Scholarship program, and the fruitful discussion with Dr. Brian C. Sales from Oak Ridge National Laboratory. J.Y. acknowledges the supports from the Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning (No. TP2015041) and 111 Project (No. D16002).
内容类型	期刊论文
源URL	[http://ir.sic.ac.cn/handle/331005/24737]
专题	中国科学院上海硅酸盐研究所
作者单位	1.Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 3.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China 4.Southern Univ Sci & Technol, Shenzhen Inst Quantum Sci & Technol, Shenzhen 518055, Peoples R China 5.Shanghai Univ, Mat Genome Inst, Shanghai 200444, Peoples R China 6.Univ Washington, Mat Sci & Engn Dept, Seattle, WA 98195 USA
推荐引用方式 GB/T 7714	Wang, Yancheng,Yang, Hongliang,Qiu, Wujie,et al. Dynamic process of the resonant phonon scattering in fully filled skutterudites[J]. PHYSICAL REVIEW B,2018,98(5).
APA	Wang, Yancheng,Yang, Hongliang,Qiu, Wujie,Yang, Jiong,Yang, Jihui,&Zhang, Wenqing.(2018).Dynamic process of the resonant phonon scattering in fully filled skutterudites.PHYSICAL REVIEW B,98(5).
MLA	Wang, Yancheng,et al."Dynamic process of the resonant phonon scattering in fully filled skutterudites".PHYSICAL REVIEW B 98.5(2018).