Elastic properties of Ta4AlC3 studied by first-principles calculations

被引：16

作者：

Du, Y. L. ^{[1
,2
]}

Sun, Z. M. ^{[1
]}

Hashimoto, H. ^{[1
]}

Tian, W. B. ^{[1
]}

机构：

[1] Natl Inst Adv Ind Sci & Technol, Mat Res Inst Sustainable Dev, Nagoya, Aichi 4638560, Japan

[2] Nanjing Univ Sci & Technol, Dept Mat Sci & Engn, Nanjing 210094, Peoples R China

来源：

SOLID STATE COMMUNICATIONS | 2008年 / 147卷 / 7-8期

关键词：

Ta4AlC3; first-principles calculations; elastic properties;

D O I：

10.1016/j.ssc.2008.06.007

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Elastic properties of Ta4AlC3 were Studied by first-principles calculations. The five independent elastic constants were derived yielding c(11) = 437 GPa, C-12 = 158 GPa, C-13 = 197 GPa, C-33 = 416 GPa, C-44 = 165 GPa. The bulk modulus B, Young's modulus E, shear modulus G, and Poisson's ratio v were determined to be 266 GPa, 362 GPa. 142 GPa, and 0.27, respectively. Ta4AlC3 is elastically stable with a Ti4AlN3-like structure. Ta4AlC3 exhibits largely isotropic Properties in compression and is slightly anisotropic in shear. The in-plane elastic anisotropy in a-c plane of Ta4AlC3 was also revealed. (C) 2008 Elsevier Ltd. All rights reserved.

引用

页码：246 / 249

页数：4

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