title: Optical second harmonic spectroscopy of boron-reconstructed Si(001)
abstract: Optical second harmonic generation (SHG) spectroscopy is used to probe Si(001) following thermal decomposition of diborane at the surface. Incorporation of boron (B) at second layer substitutional sites at H-free Si(001) intensifies and redshifts the E1 SHG spectral peak, while subsequent H termination further intensifies and blueshifts E1, in sharp contrast to the effect of bulk B doping or nonsubstitutional B. Ab initio pseudopotential and semiempirical tight binding calculations independently reproduce these unique trends, and attribute them to the surface electric field associated with charge transfer to electrically active B acceptors, and rehybridization of atomic bonds.
authors.affiliation: Texas Materials Institute, University of Texas at Austin, Austin, Texas 78712, USA.
authors.initials: D
authors.lastname: Lim
authors.initials: MC
authors.lastname: Downer
authors.initials: JG
authors.lastname: Ekerdt
authors.initials: N
authors.lastname: Arzate
authors.initials: BS
authors.lastname: Mendoza
authors.initials: VI
authors.lastname: Gavrilenko
authors.initials: RQ
authors.lastname: Wu