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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
ISSN2045-2322
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
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).
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