title: Atomic bonding and electrical potential at metal/oxide interfaces, a first principle study.
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/SiO2metal/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.
authors.affiliation: Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, Virginia 24061, USA.
authors.forename: Eric
authors.identifier: 0000000325600283
authors.initials: E
authors.lastname: Tea
authors.affiliation: Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, Virginia 24061, USA.
authors.forename: Jianqiu
authors.identifier: 0000000288926291
authors.initials: J
authors.lastname: Huang
authors.affiliation: Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, Virginia 24061, USA.
authors.forename: Guanchen
authors.initials: G
authors.lastname: Li
authors.affiliation: Department of Mechanical Engineering, Virginia Tech, Goodwin Hall, 635 Prices Fork Road - MC 0238, Blacksburg, Virginia 24061, USA.
authors.forename: Celine
authors.initials: C
authors.lastname: Hin