title: Chemical bonding and atomic structure in Y2O3:ZrO2-SrTiO3 layered heterostructures.
abstract: Repeating boundaries: the buried interfaces in artificial heterostructures produced by sequential deposition of nanosized units are critical to their properties. With density functional theory it was shown that in Y(2)O(3):ZrO(2) (YSZ) and SrTiO(3) (STO) heterostructures reconstruction of the interfaces between the component units is required to access the most favorable structure.
authors.affiliation: Department of Chemistry, University of Liverpool, UK.
authors.forename: Matthew S
authors.initials: MS
authors.lastname: Dyer
authors.forename: George R
authors.initials: GR
authors.lastname: Darling
authors.forename: John B
authors.initials: JB
authors.lastname: Claridge
authors.forename: Matthew J
authors.initials: MJ
authors.lastname: Rosseinsky