title: Asymmetric doping in silicon nanostructures: the impact of surface dangling bonds.
abstract: We investigate peculiar dopant deactivation behaviors of Si nanostrucures with first principle calculations and reveal that surface dangling bonds (SDBs) on Si nanostructures could be fundamental obstacles in nanoscale doping. In contrast to bulk Si, as the size of Si becomes smaller, SDBs on Si nanostructures prefer to be charged and asymmetrically deactivate n- and p-type doping. The asymmetric dopant deactivation in Si nanostructures is ascribed to the preference for negatively charged SDBs as a result of a larger quantum confinement effect on the conduction band. On the basis of our results, we show that the control of the growth direction of silicon nanowire as well as surface passivation is very important in preventing dopant deactivation.
authors.affiliation: Samsung Advanced Institute of Technology, Mt. 14, Gyeonggi-Do, Korea. kiha.hong@samsung.com
authors.forename: Ki-Ha
authors.initials: KH
authors.lastname: Hong
authors.forename: Jongseob
authors.initials: J
authors.lastname: Kim
authors.forename: Jung Hoon
authors.initials: JH
authors.lastname: Lee
authors.forename: Jaikwang
authors.initials: J
authors.lastname: Shin
authors.forename: U-In
authors.initials: UI
authors.lastname: Chung
mesh_terms: D001665:Binding Sites; D003198:Computer Simulation; D046911:Macromolecular Substances / Q000737:chemistry; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D010316:Particle Size; D012825:Silicon / Q000737:chemistry*; D013499:Surface Properties
chemical_list: D046911:Macromolecular Substances; D012825:Silicon