Soft breakdown of an insulating nanowire in an electric field

摘要: The study of the properties nanostructures in an electric field is very important not only from fundamental point view but also for practical applications. According to classical physics, insulating system will be broken down a large field. Can we predict such behaviour using ab initio calculation? Such attempt made this paper. electronic structure and charge distributions thinnest (SiO2)n wire are studied detail with first-principles method. It found that HOMO?LUMO gap increases size saturates at values 6.4?eV when , suggesting SiO2 chain can good nanowire. However, applied field, HOMO LUMO energies decrease linearly different speeds, approaches zero, which by