[21p-A301-1~13] 1.3 Novel technologies and interdisciplinary engineering

[21p-A301-2] System for Predicting Interface Chemical Bond at Oxide-Metal Interfaces

〇Michiko Yoshitake¹ (1.NIMS)

Keywords:interface bonding, prediction, software

Interface between metal and oxide is of importance such as operating voltage of electronic devices and wetting of coatings. For the interface between the identical metal and oxide, there would be two bonding, metal atoms binds with either the metal component of the oxide or oxygen atoms. We have developed to predict which one of the two is thermodynamically stable in general way and software for the prediction is available since 2014. Now the prediction is extended for systems with interface reactions.