title: Quantitative atomic-scale analysis of interface structures: transmission electron microscopy and local density functional theory.
abstract: Transmission electron microscopy (TEM) and local density functional theory (LDFT) are combined to analyze the microscopic structure of the rhombohedral twin interface in alpha-Al2O3. LDFT provides interfacial energetics and atomic and electronic structures for three competing models. With high-resolution TEM the atomic structure at the interface is imaged quantitatively along two orthogonal zone axes. Electron energy loss spectroscopy in TEM with nanoscale spatial resolution yields the interfacial electronic structure. Both experiments confirm the theoretically preferred model quantitatively.
authors.affiliation: Max-Planck-Institut für Metallforschung, Seestrasse 92, D-70174 Stuttgart, Germany.
authors.forename: S
authors.initials: S
authors.lastname: Nufer
authors.forename: A G
authors.initials: AG
authors.lastname: Marinopoulos
authors.forename: T
authors.initials: T
authors.lastname: Gemming
authors.forename: C
authors.initials: C
authors.lastname: Elsässer
authors.forename: W
authors.initials: W
authors.lastname: Kurtz
authors.forename: S
authors.initials: S
authors.lastname: Köstlmeier
authors.forename: M
authors.initials: M
authors.lastname: Rühle