title: Adsorption states of the self-assembly of NH(3) molecules on the Si(001) surface.
abstract: Adsorption states of the self-assembly of NH(3) molecules on the Si(001) surface are investigated using density-functional theory calculations. H-bond interactions between incoming and adsorbed NH(3) molecules produce a strong attractive potential field for the incoming molecules. Induced by the H bonds, physisorption states are formed on the adsorbed NH(3). Molecular adsorption states are formed on a buckled-down Si atom near the adsorbed NH(3). Various physisorption, molecular and dissociative adsorption configurations are discussed.
authors.affiliation: Korea Research Institute of Standards and Science, PO Box 102, Yuseong, Daejeon 305-600, Korea.
authors.forename: Yong-Sung
authors.initials: YS
authors.lastname: Kim
authors.forename: Ja-Yong
authors.initials: JY
authors.lastname: Koo
authors.forename: Hanchul
authors.initials: H
authors.lastname: Kim