Tunnel-structured willemite Zn2SiO4: Electronic structure, elastic, and thermal properties

doi:10.1007/s40145-022-0607-1

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	Tunnel-structured willemite Zn2SiO4: Electronic structure, elastic, and thermal properties
	Dai,Ruqiao 1,2; Cheng,Renfei 1; Wang,Jiemin 1; Zhang,Chao 1; Li,Cuiyu 3; Wang,Hailong 4; Wang,Xiaohui 1; Zhou,Yanchun 5
通讯作者	Wang,Xiaohui(wang@imr.ac.cn) ; Zhou,Yanchun(yczhou@alum.imr.ac.cn)
	2022-07-25
发表期刊	Journal of Advanced Ceramics
ISSN	2226-4108
卷号	11 期号:8
摘要	AbstractWillemite Zn2SiO4 crystallizes in such a way that Zn and Si are tetrahedrally coordinated with O in an ionic-covalent manner to form ZnO4 and SiO4 tetrahedra as the building units. The tetrahedra are corner-sharing, of which one SiO4 tetrahedron connects eight ZnO4 tetrahedra, and one ZnO4 tetrahedron links four ZnO4 tetrahedra and four SiO4 tetrahedra. The unique crystallographic configuration gives rise to parallel tunnels with a diameter of 5.7 ? along the c-axis direction. The tunnel structure of Zn2SiO4 definitely correlates with its interesting elastic and thermal properties. On the one hand, the elastic modulus, coefficient of thermal expansion (CTE), and thermal conductivity are low. Zn2SiO4 has low Vickers hardness of 6.6 GPa at 10 N and low thermal conductivity of 2.34 W/(m·K) at 1073 K. On the other hand, the elastic modulus and CTE along the c-axis are significantly larger than those along the a- and b-axes, showing obvious elastic and thermal expansion anisotropy. Specifically, the Young’s modulus along the z direction (Ez = 179 GPa) is almost twice those in the x and y directions (Ex = Ey = 93 GPa). The high thermal expansion anisotropy is ascribed to the empty tunnels along the c-axis, which are capable of more accommodating the thermal expansion along the a- and b-axes. The striking properties of Zn2SiO4 in elastic modulus, hardness, CTE, and thermal conductivity make it much useful in various fields of ceramics, such as low thermal expansion, thermal insulation, and machining tools.
关键词	Zn2SiO4 electronic structure elastic properties thermal expansion thermal conductivity
DOI	10.1007/s40145-022-0607-1
语种	英语
WOS记录号	BMC:10.1007/s40145-022-0607-1
出版者	Tsinghua University Press
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/174567
专题	中国科学院金属研究所
通讯作者	Wang,Xiaohui; Zhou,Yanchun
作者单位	1.Chinese Academy of Sciences; Shenyang National Laboratory for Materials Science, Institute of Metal Research 2.University of Science and Technology of China; School of Materials Science and Engineering 3.Suma Technology Company Limited; Advanced Computing East China Sub-center 4.Zhengzhou University; School of Material Science and Engineering 5.Aerospace Research Institute of Materials & Processing Technology; Science and Technology on Advanced Functional Composite Laboratory
推荐引用方式 GB/T 7714	Dai,Ruqiao,Cheng,Renfei,Wang,Jiemin,et al. Tunnel-structured willemite Zn2SiO4: Electronic structure, elastic, and thermal properties[J]. Journal of Advanced Ceramics,2022,11(8).
APA	Dai,Ruqiao.,Cheng,Renfei.,Wang,Jiemin.,Zhang,Chao.,Li,Cuiyu.,...&Zhou,Yanchun.(2022).Tunnel-structured willemite Zn2SiO4: Electronic structure, elastic, and thermal properties.Journal of Advanced Ceramics,11(8).
MLA	Dai,Ruqiao,et al."Tunnel-structured willemite Zn2SiO4: Electronic structure, elastic, and thermal properties".Journal of Advanced Ceramics 11.8(2022).