The C-type difect on Si(001) as a hydrogen-vacancy complex

摘要

An ab initio study is performed for atomic and electronic structures of the C-type defect on Si(001). A complex of a second-layer vacancy with a hydrogen atom is investigated as a structure model of this defect and its electronic structure is presented. Energetics of formation of the complex model are compared with that of its intrinsic counterpart. direct c 1999 Elsevier Science S.A. All rights reserved.