首页 | 本学科首页   官方微博 | 高级检索  
     


Anomalous temperature dependence of elastic constant c44 in V, Nb, Ta, Pd, and Pt
Authors:L. Huang  L. Vitos  B. Johansson  R. Ahuja
Affiliation:a Condensed Matter Theory Group, Department of Physics, Uppsala University, BOX 530, SE-751 21, Uppsala, Sweden
b Applied Materials Physics, Department of Materials and Engineering, Royal Institute of Technology (KTH), SE-100 44, Stockholm, Sweden
c Research Institute for Solid State Physics and Optics, P.O. Box 49, H-1525 Budapest, Hungary
Abstract:The anomalous temperature dependence of elastic constant c44 for elements V, Nb, Ta, Pd, and Pt, has been calculated using first-principles theory. It is shown that the variation of elastic constant for simple elements can be approximated as the sum of thermal expansion and electronic components. The thermal expansion contributes the normal linearly decreasing effect to the elastic constant with temperature, while electronic contribution is determined by the unique character of electronic structure of elements and leads to the anomalous effect to the elastic constant with temperature.
Keywords:A. Elements   C. Ab initio calculations   D. Elastic properties
本文献已被 ScienceDirect 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号