Investigation of the Influence of Alloy Atomic Doping on the Properties of Cu-Sn Alloys Based on First Principles
Zongfan Wei,
Jiaying Chen,
Jingteng Xue
et al.
Abstract:In order to design Cu-Sn alloys with excellent overall performance, the structural stability, mechanical properties, and electronic structure of X-doped Cu-Sn alloys were systematically calculated using first-principles calculations. The calculation results of the cohesive energy indicate that the Cu-Sn-X structures formed by X atoms (X = Ag, Ca, Cd, Mg, Ni, Zr) doping into Cu-Sn can stably exist. The Cu-Sn-Ni structure is the most stable, with a cohesive energy value of −3.84 eV. Doping of X atoms leads to a … Show more
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