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Influence of Interfacial Structure on Bonding Strength and Thermoelectric Transport Properties of Cu 6 Sn 5 /Cu Interface

2022; RELX Group (Netherlands); Linguagem: Inglês

10.2139/ssrn.4054602

1556-5068

Zhihang Zhang, Qiuguo Yang, Jihua Huang, Shuhai Chen, Zheng Ye, Jian Yang,

Electrical Contact Performance and Analysis

The bonding strength, electrical conductivity and thermal conductivity of Cu 6 Sn 5 /Cu interface with different interfacial structures, including Cu 6 Sn 5 (001)/Cu (110) interface, Cu 6 Sn 5 (110)/Cu (001) interface and Cu 6 Sn 5 (110)/Cu (111) interface, were investigated by using density functional theory and semi-classical Boltzmann transport theory. The results indicate that, the chemical bonds were generated on the three interfaces, and charge densities of Cu 6 Sn 5 (001)/Cu (110) interface, Cu 6 Sn 5 (110)/Cu (001) interface and Cu 6 Sn 5 (110)/Cu (111) interface are 1.24 e/Å 3 , 2.51 e/Å 3 and 2.43 e/Å 3 , respectively. This result leads that the bonding strength, electrical conductivity and thermal conductivity of Cu 6 Sn 5 (001)/Cu (110) interface are all lower than the other two interfaces. Moreover, the interfacial chemical bonds exhibit ionic characteristic and covalence characteristic simultaneously. Both ionic characteristic and covalence characteristic of Cu 6 Sn 5 (110)/Cu (001) interface are stronger than Cu 6 Sn 5 (110)/Cu (111) interface. Therefore, although the charge densities on Cu 6 Sn 5 (110)/Cu (001) interface and Cu 6 Sn 5 (110)/Cu (111) interface are similar, the electron localization of Cu 6 Sn 5 (110)/Cu (001) interface is much stronger, leading to the smaller number of free electrons. Therefore, the result that electrical conductivity and thermal conductivity of Cu 6 Sn 5 (110)/Cu (001) interface are 1.48 times and 1.56 times those of Cu 6 Sn 5 (110)/Cu (111) interface was achieved.