New Perspective on Understanding Contact between Metal and Oxide Through Atomistic Modeling: A Case Study on Tin Oxide in Contact with Common Metals

Remarkable efforts have been devoted to the detection, location, and resolution of electrical contact failures. However, because of the complex interplay of physical, mechanical, and electrical factors as well as the continuous miniaturization of electronic devices to the nanoscale, current methods that rely on conventional contact resistance measurements face significant limitations. By adopting the approach of atomistic modeling, our study tackles this persistent issue by providing a new perspective on fundamentals of contact mechanisms. As an example, the contact between common metals and tin oxide is systematically evaluated and compared by examining the charge transfer and bonding at the interface. The obtained theoretical results serve as the principles for explaining the contact behavior of such materials systems and provide more insights and practical guidance on materials selection, troubleshooting and problem solving, as well as device design.