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A number of electronic devices involve metal/oxide interfaces in theirstructure where the oxide layer plays the role of electrical insulator. As thedownscaling of devices continues, the oxide thickness can spread over only afew atomic layers, making the role of interfaces prominent on its insulatingproperties. The prototypical Al/SiO2 metal/oxide interface is investigatedusing first principle calculations, and the effect of the interfacial atomicbonding is evidenced. It is shown that the interface bonding configurationcritically 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 theoxide layer, without atomic diffusion, leading to a virtual oxide thinning.

Atomic bonding and electrical potential at metal/oxide interfaces, a first principle study