title: Structure and energetics of the Si- SiO2 interface
abstract: Using a Monte Carlo approach, we identify low-energy structures for the (001)-oriented Si-SiO2 interface. The optimal interface structure found consists of an ordered array of Si-O-Si "bridges," with low strain energy. This structure explains several puzzling experimental observations.
authors.affiliation: IBM Research Division, T. J. Watson Research Center, P.O. Box 218, Yorktown Heights, New York 10598, USA.
authors.initials: Y
authors.lastname: Tu
authors.initials: J
authors.lastname: Tersoff