Giant Phonon Anharmonicity and Anomalous Pressure Dependence of Lattice Thermal Conductivity in Y2Si2O7 silicate

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	Giant Phonon Anharmonicity and Anomalous Pressure Dependence of Lattice Thermal Conductivity in Y2Si2O7 silicate
	Luo, Yixiu; Wang, Jiemin; Li, Yiran; Wang, Jingyang; Wang, JY (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, High Performance Ceram Div, Shenyang 110016, Peoples R China.
	2016-07-19
发表期刊	SCIENTIFIC REPORTS
ISSN	2045-2322
卷号	6
摘要	Modification of lattice thermal conductivity (kappa(L)) of a solid by means of hydrostatic pressure (P) has been a crucially interesting approach that targets a broad range of advanced materials from thermoelectrics and thermal insulators to minerals in mantle. Although it is well documented knowledge that thermal conductivity of bulk materials normally increase upon hydrostatic pressure, such positive relationship is seriously challenged when it comes to ceramics with complex crystal structure and heterogeneous chemical bonds. In this paper, we predict an abnormally negative trend d kappa(L)/dP < 0 in Y2Si2O7 silicate using density functional theoretical calculations. The mechanism is disclosed as combined effects of slightly decreased group velocity and significantly augmented scattering of heat-carrying acoustic phonons in pressured lattice, which is originated from pressure-induced downward shift of low-lying optic and acoustic phonons. The structural origin of low-lying optic phonons as well as the induced phonon anharmonicity is also qualitatively elucidated with respect to intrinsic bonding heterogeneity of Y2Si2O7. The present results are expected to bring deeper insights for phonon engineering and modulation of thermal conductivity in complex solids with diverging structural flexibility, enormous bonding heterogeneity, and giant phonon anharmonicity.
部门归属	[luo, yixiu ; wang, jiemin ; li, yiran ; wang, jingyang] chinese acad sci, inst met res, shenyang natl lab mat sci, high performance ceram div, shenyang 110016, peoples r china
学科领域	Science & Technology - Other Topics
资助者	Natural Sciences Foundation of China [51032006, 51372252]
收录类别	sci
语种	英语
WOS记录号	WOS:000379836400001
引用统计	被引频次：29[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/321006/75791
专题	中国科学院金属研究所
通讯作者	Wang, JY (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, High Performance Ceram Div, Shenyang 110016, Peoples R China.
推荐引用方式 GB/T 7714	Luo, Yixiu,Wang, Jiemin,Li, Yiran,et al. Giant Phonon Anharmonicity and Anomalous Pressure Dependence of Lattice Thermal Conductivity in Y2Si2O7 silicate[J]. SCIENTIFIC REPORTS,2016,6.
APA	Luo, Yixiu,Wang, Jiemin,Li, Yiran,Wang, Jingyang,&Wang, JY .(2016).Giant Phonon Anharmonicity and Anomalous Pressure Dependence of Lattice Thermal Conductivity in Y2Si2O7 silicate.SCIENTIFIC REPORTS,6.
MLA	Luo, Yixiu,et al."Giant Phonon Anharmonicity and Anomalous Pressure Dependence of Lattice Thermal Conductivity in Y2Si2O7 silicate".SCIENTIFIC REPORTS 6(2016).