Xinyu Wang , Jieshi Chen , Xiao He , Meng Lin , Zhixin Hou , Chun Yu , Hao Lu , Kai Xiong
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引用次数: 0
Abstract
First-principles calculations, grounded in density functional theory and augmented by the Boltzmann transport theory, have been conducted to scrutinize the influence of Ni and Zn doping on Cu-Sn IMC interfaces. These calculations, which factor in a radius parameter, shed light on the effects to interfacial stability, electronic structure, bonding properties, and the conductive behaviors—both electrical and thermal. The doping of Ni elements increases the absolute value of the interfacial formation enthalpy, enhancing its stability, while the doping of Zn elements reduces the absolute value of the formation enthalpy, decreasing its stability. The calculation results of the ideal adhesion work Wad indicate that all Cu-Sn-X (X: Ni, Zn)/Cu interface models are stable, with Wad >0. Due to the transfer of electrons and the hybridization of electronic orbitals at the Cu-Sn-X (X: Ni, Zn)/Cu interface, chemical bonds with both covalent and ionic characteristics are formed. Doping the Cu-Sn IMC/Cu system with Ni and Zn in place of Cu and Sn atoms leads to a reduction in the quantity of free electrons, consequently lowering the system's electrical and thermal conductivities.
期刊介绍:
Vacuum is an international rapid publications journal with a focus on short communication. All papers are peer-reviewed, with the review process for short communication geared towards very fast turnaround times. The journal also published full research papers, thematic issues and selected papers from leading conferences.
A report in Vacuum should represent a major advance in an area that involves a controlled environment at pressures of one atmosphere or below.
The scope of the journal includes:
1. Vacuum; original developments in vacuum pumping and instrumentation, vacuum measurement, vacuum gas dynamics, gas-surface interactions, surface treatment for UHV applications and low outgassing, vacuum melting, sintering, and vacuum metrology. Technology and solutions for large-scale facilities (e.g., particle accelerators and fusion devices). New instrumentation ( e.g., detectors and electron microscopes).
2. Plasma science; advances in PVD, CVD, plasma-assisted CVD, ion sources, deposition processes and analysis.
3. Surface science; surface engineering, surface chemistry, surface analysis, crystal growth, ion-surface interactions and etching, nanometer-scale processing, surface modification.
4. Materials science; novel functional or structural materials. Metals, ceramics, and polymers. Experiments, simulations, and modelling for understanding structure-property relationships. Thin films and coatings. Nanostructures and ion implantation.