TY - JOUR
T1 - Elastic moduli of (Ni,Cu) 3Sn 4 ternary alloys from first-principles calculations
AU - Gao, Feng
AU - Qu, Jianmin
PY - 2010/11
Y1 - 2010/11
N2 - 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.
AB - 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.
KW - Density of states
KW - Elastic property
KW - First principles
KW - Intermetallic compound
KW - Lead-free solder
KW - Single crystal
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U2 - 10.1007/s11664-010-1338-6
DO - 10.1007/s11664-010-1338-6
M3 - Article
AN - SCOPUS:78149282922
SN - 0361-5235
VL - 39
SP - 2429
EP - 2434
JO - Journal of Electronic Materials
JF - Journal of Electronic Materials
IS - 11
ER -