title: Understanding STM images and EELS spectra of oxides with strongly correlated electrons: a comparison of nickel and uranium oxides
abstract: Using a theoretical approach combining the local spin density approximation (LSDA) of density functional theory and the Hubbard U term (LSDA + U), we analyse the connection between the experimentally observed electron energy loss spectra and elevated temperature scanning tunnelling images of surfaces of semiconducting nickel monoxide NiO and uranium dioxide UO2. We show that a combination of electron energy loss spectroscopy, atomic-resolution tunnelling imaging and first-principles ab initio calculations provides a powerful tool for studying electronic and structural properties of surfaces of transition metal and actinide oxides.
authors.affiliation: Department of Materials, University of Oxford, UK. sergei.dudarev@ukaea.org.uk
authors.initials: SL
authors.lastname: Dudarev
authors.initials: MR
authors.lastname: Castell
authors.initials: GA
authors.lastname: Botton
authors.initials: SY
authors.lastname: Savrasov
authors.initials: C
authors.lastname: Muggelberg
authors.initials: GA
authors.lastname: Briggs
authors.initials: AP
authors.lastname: Sutton
authors.initials: DT
authors.lastname: Goddard