First principles calculation of elastic and lattice constants of orthorhombic Cu3Sn crystal

被引：0
|
作者：
Pang, X.Y. [1 ]
Wang, S.Q. [1 ]
Zhang, L. [1 ]
Liu, Z.Q. [1 ]
Shang, J.K. [1 ,2 ]
机构：
[1] Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang, 110016, China
[2] Department of Materials Science and Engineering, University of Illinois at Urbana, Champaign, IL 61801, United States
来源：
Journal of Alloys and Compounds | 2008年 / 466卷 / 1-2期
关键词：
The structure and elastic properties of a common intermetallic compound; Cu3Sn; at the interface of a solder and Cu metallization were investigated by the plane-wave pseudo-potential (PW-PP) method using the generalized gradient approximation (GGA). Through energy minimization; the lattice constants of the Cu3Sn orthorhombic crystal were calculated to within a very small range of the experimental values. Based on the structural information; the elastic constants of Cu3Sn crystal were determined from the first principles calculations. Using the single crystal results; the elastic constants of the polycrystalline Cu3Sn compound were predicted from the continuum theories. The predictions provided reasonable agreements with experimental data available. © 2007 Elsevier B.V. All rights reserved;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Journal article (JA)
引用
收藏
页码：517 / 520
相关论文
共 50 条
  • [21] The orientation relationships of the Cu3Sn/Cu interfaces and a discussion of the formation sequence of Cu3Sn and Cu6Sn5
    Wang, Kuang-Kuo
    Gan, Dershin
    Hsieh, Ker-Chang
    THIN SOLID FILMS, 2014, 562 : 398 - 404
  • [22] Preparation of large Cu3Sn single crystal by Czochralski method
    Minsik Kong
    Sang-Eon Park
    Hye Jung Kim
    Sehwan Song
    Dong-Choon Ryu
    Baekjune Kang
    Changhee Sohn
    Hyun Jung Kim
    Youngwook Kim
    Sangmoon Yoon
    Ara Go
    Hyoungjeen Jeen
    Sungkyun Park
    Se-Young Jeong
    Chang-Jong Kang
    Jong Mok Ok
    Journal of the Korean Physical Society, 2022, 81 : 658 - 663
  • [23] Calculation of Elastic Constants at High Pressure from First-principles
    Mehta, S.
    SHOCK COMPRESSION OF CONDENSED MATTER - 2019, 2020, 2272
  • [24] Crystal size and direction dependence of the elastic properties of Cu3Sn through molecular dynamics simulation and nanoindentation testing
    Chen, Wen-Hwa
    Yu, Ching-Feng
    Cheng, Hsien-Chie
    Lu, Su-Tsai
    MICROELECTRONICS RELIABILITY, 2012, 52 (08) : 1699 - 1710
  • [25] First-Principles Study of Electronic, Elastic, and Lattice Vibrational Properties of Pbnm Orthorhombic SrHfO3
    A. Yangthaisong
    Journal of Electronic Materials, 2013, 42 : 993 - 998
  • [26] First-Principles Study of Electronic, Elastic, and Lattice Vibrational Properties of Pbnm Orthorhombic SrHfO3
    Yangthaisong, A.
    JOURNAL OF ELECTRONIC MATERIALS, 2013, 42 (06) : 993 - 998
  • [27] Cu3Sn - understanding the systematic absences
    Muller, Carola J.
    Lidin, Sven
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2014, 70 : 879 - 887
  • [28] Morphology transformation on Cu3Sn grains during the formation of full Cu3Sn solder joints in electronic packaging
    Yao, Peng
    Li, Xiaoyan
    Jin, Fengyang
    Li, Yang
    SOLDERING & SURFACE MOUNT TECHNOLOGY, 2018, 30 (01) : 14 - 25
  • [29] First principles calculation of single-crystal elastic constants of titanium tetraboride (Ti3B4) and experimental validation
    Rou, Somnaang
    Chandran, K. S. Ravi
    JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2018, 101 (09) : 4308 - 4320
  • [30] First principles calculation of single-crystal elastic constants of titanium tetraboride (Ti3B4) and experimental validation
    Chandran, K. S. Ravi (ravi.chandran@utah.edu), 1600, Blackwell Publishing Inc. (101):
12345