title: First-principles mobility calculations and atomic-scale interface roughness in nanoscale structures.
abstract: Calculations of mobilities have so far been carried out using approximate methods that suppress atomic-scale detail. Such approaches break down in nanoscale structures. Here we report the development of a method to calculate mobilities using atomic-scale models of the structures and density functional theory at various levels of sophistication and accuracy. The method is used to calculate the effect of atomic-scale roughness on electron mobilities in ultrathin double-gate silicon-on-insulator structures. The results elucidate the origin of the significant reduction in mobility observed in ultrathin structures at low electron densities.
authors.affiliation: Department of Physics, Massachusetts Institute of Technology, Cambridge, 02139, USA.
authors.forename: M H
authors.initials: MH
authors.lastname: Evans
authors.forename: X-G
authors.initials: XG
authors.lastname: Zhang
authors.forename: J D
authors.initials: JD
authors.lastname: Joannopoulos
authors.forename: S T
authors.initials: ST
authors.lastname: Pantelides