Pressure-induced low-lying phonon modes softening and enhanced thermal resistance in beta-Mg2Al4Si5O18

IMR OpenIR

	Pressure-induced low-lying phonon modes softening and enhanced thermal resistance in beta-Mg2Al4Si5O18
	Li, Yiran; Tian, Zhilin; Luo, Yixiu; Wang, Jiemin; Sun, Luchao; Zheng, Liya; Wang, Jingyang; Wang, JY (reprint author), Chinese Acad Sci, Inst Met Res, High Performance Ceram Div, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China.
	2017-02-01
发表期刊	PHYSICAL REVIEW B
ISSN	2469-9950
卷号	95 期号:5 页码:-
摘要	Lattice thermal conductivities of beta-Mg2Al4Si5O18 were predicted at various hydrostatic pressures based on some theoretical models. An abnormal decrement on lattice thermal conductivity is observed for compressed crystal structure. A rigorous analysis of structural stability, bonding characteristics, vibration modes, group velocities, and mode Gruneisen parameters helps us to recognize the origin of this anomalous behavior. We attribute the negative dependent trend to the softening of low frequency phonons and strengthening of anharmonicity at elevated pressure, both of which arise from the specific corner-linked tetrahedral framework in the crystal structure. To validate theoretical calculations, we synthesized pure and dense beta-Mg2Al4Si5O18 ceramic by using a two-step processing method and determined its intrinsic lattice thermal conductivity by successfully eliminating the phonon scattering from defects and high-temperature thermal radiation. The experimental intrinsic values agreed quite well with the theoretical predictions. This paper reports an anomalous pressure-induced reduction of lattice thermal conductivity and also provides a key insight into the interesting phonon modification mechanism through tailoring the crystal structure of complex compounds.; Lattice thermal conductivities of beta-Mg2Al4Si5O18 were predicted at various hydrostatic pressures based on some theoretical models. An abnormal decrement on lattice thermal conductivity is observed for compressed crystal structure. A rigorous analysis of structural stability, bonding characteristics, vibration modes, group velocities, and mode Gruneisen parameters helps us to recognize the origin of this anomalous behavior. We attribute the negative dependent trend to the softening of low frequency phonons and strengthening of anharmonicity at elevated pressure, both of which arise from the specific corner-linked tetrahedral framework in the crystal structure. To validate theoretical calculations, we synthesized pure and dense beta-Mg2Al4Si5O18 ceramic by using a two-step processing method and determined its intrinsic lattice thermal conductivity by successfully eliminating the phonon scattering from defects and high-temperature thermal radiation. The experimental intrinsic values agreed quite well with the theoretical predictions. This paper reports an anomalous pressure-induced reduction of lattice thermal conductivity and also provides a key insight into the interesting phonon modification mechanism through tailoring the crystal structure of complex compounds.
部门归属	[li, yiran ; tian, zhilin ; luo, yixiu ; wang, jiemin ; sun, luchao ; wang, jingyang] chinese acad sci, inst met res, high performance ceram div, shenyang natl lab mat sci, shenyang 110016, peoples r china ; [li, yiran ; luo, yixiu] univ chinese acad sci, beijing 100049, peoples r china ; [zheng, liya] imperial coll london, dept chem engn, london sw7 2az, england
学科领域	Physics, Condensed Matter
资助者	Natural Sciences Foundation of China [51372252, 51402313]
收录类别	SCI
语种	英语
WOS记录号	WOS:000398622700001
引用统计	被引频次：4[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/321006/78299
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, High Performance Ceram Div, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China.
推荐引用方式 GB/T 7714	Li, Yiran,Tian, Zhilin,Luo, Yixiu,et al. Pressure-induced low-lying phonon modes softening and enhanced thermal resistance in beta-Mg2Al4Si5O18[J]. PHYSICAL REVIEW B,2017,95(5):-.
APA	Li, Yiran.,Tian, Zhilin.,Luo, Yixiu.,Wang, Jiemin.,Sun, Luchao.,...&Wang, JY .(2017).Pressure-induced low-lying phonon modes softening and enhanced thermal resistance in beta-Mg2Al4Si5O18.PHYSICAL REVIEW B,95(5),-.
MLA	Li, Yiran,et al."Pressure-induced low-lying phonon modes softening and enhanced thermal resistance in beta-Mg2Al4Si5O18".PHYSICAL REVIEW B 95.5(2017):-.