title: Surface Effects on the Mott-Hubbard Transition in Archetypal V{2}O{3}.
abstract: We present an experimental and theoretical study exploring surface effects on the evolution of the metal-insulator transition in the model Mott-Hubbard compound Cr-doped V{2}O{3}. We find a microscopic domain formation that is clearly affected by the surface crystallographic orientation. Using scanning photoelectron microscopy and x-ray diffraction, we find that surface defects act as nucleation centers for the formation of domains at the temperature-induced isostructural transition and favor the formation of microscopic metallic regions. A density-functional theory plus dynamical mean-field theory study of different surface terminations shows that the surface reconstruction with excess vanadyl cations leads to doped, and hence more metallic, surface states, which explains our experimental observations.
authors.affiliation: Laboratoire de Physique des Solides, CNRS-UMR 8502, Université Paris-Sud, F-91405 Orsay, France.
authors.forename: G
authors.initials: G
authors.lastname: Lantz
authors.affiliation: Laboratoire de Physique des Solides, CNRS-UMR 8502, Université Paris-Sud, F-91405 Orsay, France.
authors.forename: M
authors.initials: M
authors.lastname: Hajlaoui
authors.affiliation: Laboratoire de Physique des Solides, CNRS-UMR 8502, Université Paris-Sud, F-91405 Orsay, France.
authors.forename: E
authors.initials: E
authors.lastname: Papalazarou
authors.affiliation: Laboratoire de Physique des Solides, CNRS-UMR 8502, Université Paris-Sud, F-91405 Orsay, France.
authors.forename: V L R
authors.initials: VL
authors.lastname: Jacques
authors.affiliation: Laboratoire de Physique des Solides, CNRS-UMR 8502, Université Paris-Sud, F-91405 Orsay, France.
authors.forename: A
authors.initials: A
authors.lastname: Mazzotti
authors.affiliation: Laboratoire de Physique des Solides, CNRS-UMR 8502, Université Paris-Sud, F-91405 Orsay, France.
authors.forename: M
authors.initials: M
authors.lastname: Marsi
authors.affiliation: Dipartimento di Fisica, Università di Roma La Sapienza, Piazzale Aldo Moro, I-00185 Roma, Italy.
authors.forename: S
authors.initials: S
authors.lastname: Lupi
authors.affiliation: Elettra-Sincrotrone Trieste SCpA, SS 14 km 163.5 AREA Science Park, 34149 Basovizza, Trieste, Italy.
authors.forename: M
authors.initials: M
authors.lastname: Amati
authors.affiliation: Elettra-Sincrotrone Trieste SCpA, SS 14 km 163.5 AREA Science Park, 34149 Basovizza, Trieste, Italy.
authors.forename: L
authors.initials: L
authors.lastname: Gregoratti
authors.affiliation: Institute for Solid State Physics, Vienna University of Technology, AT-1040 Vienna, Austria.
authors.forename: L
authors.initials: L
authors.lastname: Si
authors.affiliation: Institute for Solid State Physics, Vienna University of Technology, AT-1040 Vienna, Austria.|Institute for Theoretical and Astrophysics, University of Würzburg, Am Hubland, 9704 Würzburg, Germany.
authors.forename: Z
authors.initials: Z
authors.lastname: Zhong
authors.affiliation: Institute for Solid State Physics, Vienna University of Technology, AT-1040 Vienna, Austria.
authors.forename: K
authors.initials: K
authors.lastname: Held