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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
Source PublicationSCIENTIFIC REPORTS
ISSN2045-2322
Volume6
AbstractModification 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.
description.department[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
Subject AreaScience & Technology - Other Topics
Funding OrganizationNatural Sciences Foundation of China [51032006, 51372252]
Indexed Bysci
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/75791
Collection中国科学院金属研究所
Corresponding AuthorWang, JY (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, High Performance Ceram Div, Shenyang 110016, Peoples R China.
Recommended Citation
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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