Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon

doi:10.1088/1361-648X/ac8bc1

IMR OpenIR

	Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon
	Cheng, Chao 1,2; Wang, Shaoqing 1
通讯作者	Wang, Shaoqing(sqwang@imr.ac.cn)
	2022-10-26
发表期刊	JOURNAL OF PHYSICS-CONDENSED MATTER
ISSN	0953-8984
卷号	34 期号:43 页码:10
摘要	The analysis of the contribution of anisotropic phonon transmission to thermal conductivity is helpful to focus on high-energy phonons in heat transport. We calculated a series of anharmonic phonon properties and heat transport properties of Si by Fourier projection method from atomic trajectories. Under this theoretical scheme, we have obtained very consistent results with the experimental data through very low computational cost, especially the anharmonic phonon properties at high temperature. We carefully analyze the contribution of different phonons to thermal conductivity and the anisotropic feature of phonon. It is found that the longitudinal acoustic (LA) phonons have the special thermal broadening near the point L at the boundary of the Brillouin zone. The optical phonons cannot be safely ignored in the study of heat transport, especially the longitudinal optical phonon that shows a large contribution to thermal conductivity at room temperature. The thermal conductivity contribution of different phonons varies with temperature. The anisotropic features of the contribution of different phonons to thermal conductivity are mainly reflected in the short-wavelength phonons. Our work explains the reason why other research works have different opinions on whether LA phonon is the main contributor of thermal conductivity. These investigations also provide insights for further understanding phonon heat transport and distribution of high-energy phonons.
关键词	Fourier projection method molecular dynamics anharmonic vibration thermal conductivity
资助者	SYNL Basic Frontier &Technological Innovation Research Project ; National Key R&D Program of China ; CAS Frontier Science Research Project
DOI	10.1088/1361-648X/ac8bc1
收录类别	SCI
语种	英语
资助项目	SYNL Basic Frontier &Technological Innovation Research Project[L2019R10] ; National Key R&D Program of China[2016YFB0701302] ; CAS Frontier Science Research Project[QYZDJSSW-JSC015]
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000849096800001
出版者	IOP Publishing Ltd
引用统计	被引频次：1[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/175071
专题	中国科学院金属研究所
通讯作者	Wang, Shaoqing
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China 2.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Liaoning, Peoples R China
推荐引用方式 GB/T 7714	Cheng, Chao,Wang, Shaoqing. Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2022,34(43):10.
APA	Cheng, Chao,&Wang, Shaoqing.(2022).Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon.JOURNAL OF PHYSICS-CONDENSED MATTER,34(43),10.
MLA	Cheng, Chao,et al."Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon".JOURNAL OF PHYSICS-CONDENSED MATTER 34.43(2022):10.