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Elastic constants and thermodynamic properties of Mg2SixSn1-x from first-principles calculations
  • 时间：0
  • 分类：O623.11[理学—有机化学;理学—化学] TM912[电气工程—电力电子与电力传动]
  • 作者机构：[1]School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China, [2]Zibo Vocational Institute, Shandong 255001, China
  • 相关基金：Project supported by the National Natural Science Foundation of China （Grant No 50504002）, China Postdoctoral Science Foundation （Grant No 20060390030） and the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry, China.
  • 相关项目：轻量、高性能镁基热电材料的半固态制备及其相关性能的研究
关键词： 第一原理计算, 弹性常数, 热力学性质, 赝势平面波方法, MG2SI, 密度泛函理论, 广义梯度近似, 体积弹性模量, first-principles, Mg2SixSn1-x, elastic constants, heat capacity
中文摘要：

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轻量、高性能镁基热电材料的半固态制备及其相关性能的研究
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