Anisotropy of the elasticity, thermal conductivity and optical parameters of Cmcm and Pmcn BiMg2VO6 ceramics

被引：14

作者：

Li, Yuan ^{[1
]}

Liu, Cong ^{[1
]}

Yu, Hui ^{[2
]}

Wang, Feng ^{[3
]}

Zhang, Xudong ^{[1
]}

机构：

[1] Shenyang Univ Technol, Sch Sci, Shenyang 110870, Liaoning, Peoples R China

[2] Shenyang Univ Technol, Sch Informat Sci & Engn, Shenyang 110870, Liaoning, Peoples R China

[3] Shenyang Univ Technol, Sch Mat Sci & Engn, Shenyang 110870, Liaoning, Peoples R China

来源：

VACUUM | 2019年 / 159卷

关键词：

BiMg2VO6; ceramics; Mechanical properties; Anisotropic properties; Optical properties; First-principles calculations; MICROWAVE DIELECTRIC-PROPERTIES; BISMUTH MAGNESIUM VANADATE; ELECTRONIC-STRUCTURES; THERMODYNAMIC PROPERTIES; STRUCTURAL-PROPERTIES; CRYSTAL-STRUCTURE; BETA;

D O I：

10.1016/j.vacuum.2018.10.040

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The anisotropic properties of the elasticity, minimum thermal conductivity and optical parameters characterizing Cmcm and Pmcn BiMg2VO6 ceramics were explored via first-principles calculations. The phonon calculations confirmed that BiMg2VO6 ceramics are dynamically stable. Furthermore, the elastic moduli (B, G, E) and hardness (H-v) indicated that the mechanical strength of Cmcm BiMg2VO6 is higher than that of Pmcn BiMg2VO6. The anisotropic constants (A(U), A(1), A(2), A(3)), Young's modulus E (represented as three-dimensional (3D) and two-dimensional (2D) figures), and minimum thermal conductivity indicated that both types of BiMg2VO6 ceramics are strongly anisotropic. Moreover, the anisotropic parameter A(OPT) and optical curves along different axes revealed that both ceramics exhibit optical anisotropy.

引用

页码：218 / 227

页数：10

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