Related Experiment Video
Updated: Jul 17, 2026

Fabrication of Spatially Confined Complex Oxides
Published on: July 1, 2013
Atomic bonding and electrical potential at metal/oxide interfaces, a first principle study
Eric Tea1, Jianqiu Huang1, Guanchen Li1
1Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, Virginia 24061, USA.
Abstract:
A number of electronic devices involve metal/oxide interfaces in their structure where the oxide layer plays the role of electrical insulator. As the downscaling of devices continues, the oxide thickness can spread over only a few atomic layers, making the role of interfaces prominent on its insulating properties. The prototypical Al/SiO2 metal/oxide interface is investigated using first principle calculations, and the effect of the interfacial atomic bonding is evidenced. It is shown that the interface bonding configuration critically dictates the mechanical and electronic properties of the interface. Oxygen atoms are found to better delimit the oxide boundaries than cations. Interfacial cation-metal bonds allow the metal potential to leak inside the oxide layer, without atomic diffusion, leading to a virtual oxide thinning.
Related Concept Videos
Types of Chemical Bonds
Ionic Bonding and Electron Transfer
Bonding in Metals
MO Theory and Covalent Bonding
The Electrical Double Layer
Processes at Electrodes

