Elastic moduli of (Ni,Cu) 3Sn 4 ternary alloys from first-principles calculations

Feng Gao, Jianmin Qu

Research output: Contribution to journalArticlepeer-review

16 Scopus citations

Abstract

Based on first-principles calculations, the effect of Cu solubility on the elastic moduli of Ni 3Sn 4-based intermetallic compound (IMC) is investigated. It is found that the stiffness tensor of a (Ni,Cu) 3Sn 4 single crystal is anisotropic, and the presence of Cu in the crystal compound reduces the moduli of (Ni,Cu) 3Sn 4 due to reduced hybridization between Ni and Sn states. Furthermore, our results show that higher Cu concentration in the (Ni,Cu) 3Sn 4-based IMCs leads to thermodynamically less stable compounds. Based on the single-crystal results, the elastic properties of polycrystalline (Ni,Cu) 3Sn 4 are also obtained.

Original languageEnglish
Pages (from-to)2429-2434
Number of pages6
JournalJournal of Electronic Materials
Volume39
Issue number11
DOIs
StatePublished - Nov 2010

Keywords

  • Density of states
  • Elastic property
  • First principles
  • Intermetallic compound
  • Lead-free solder
  • Single crystal

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