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      Stoichiometry-driven switching between surface reconstructions on SrTiO 3(001) ☆

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          Abstract

          Controlling the surface structure on the atomic scale is a major difficulty for most transition metal oxides; this is especially true for the ternary perovskites. The influence of surface stoichiometry on the atomic structure of the SrTiO 3(001) surface was examined with scanning tunneling microscopy, low-energy electron diffraction, low-energy He + ion scattering (LEIS), and X-ray photoelectron spectroscopy (XPS). Vapor deposition of 0.8 monolayer (ML) strontium and 0.3 ML titanium, with subsequent annealing to 850 °C in 4 × 10 − 6 mbar O 2, reversibly switches the surface between c(4 × 2) and (2 × 2) reconstructions, respectively. The combination of LEIS and XPS shows a different stoichiometry that is confined to the top layer. Geometric models for these reconstructions need to take into account these different surface compositions.

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          Two-dimensional electron gas with universal subbands at the surface of SrTiO(3).

          A F Santander-Syro, O Copie, T Kondo … (2011)
          As silicon is the basis of conventional electronics, so strontium titanate (SrTiO(3)) is the foundation of the emerging field of oxide electronics. SrTiO(3) is the preferred template for the creation of exotic, two-dimensional (2D) phases of electron matter at oxide interfaces that have metal-insulator transitions, superconductivity or large negative magnetoresistance. However, the physical nature of the electronic structure underlying these 2D electron gases (2DEGs), which is crucial to understanding their remarkable properties, remains elusive. Here we show, using angle-resolved photoemission spectroscopy, that there is a highly metallic universal 2DEG at the vacuum-cleaved surface of SrTiO(3) (including the non-doped insulating material) independently of bulk carrier densities over more than seven decades. This 2DEG is confined within a region of about five unit cells and has a sheet carrier density of ∼0.33 electrons per square lattice parameter. The electronic structure consists of multiple subbands of heavy and light electrons. The similarity of this 2DEG to those reported in SrTiO(3)-based heterostructures and field-effect transistors suggests that different forms of electron confinement at the surface of SrTiO(3) lead to essentially the same 2DEG. Our discovery provides a model system for the study of the electronic structure of 2DEGs in SrTiO(3)-based devices and a novel means of generating 2DEGs at the surfaces of transition-metal oxides.
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            The structure and chemistry of the TiO(2)-rich surface of SrTiO(3) (001).

            M Marks, Kenneth Poeppelmeier, Charles D. Ellis … (2002)
            Oxide surfaces are important for applications in catalysis and thin film growth. An important frontier in solid-state inorganic chemistry is the prediction of the surface structure of an oxide. Comparatively little is known about atomic arrangements at oxide surfaces at present, and there has been considerable discussion concerning the forces that control such arrangements. For instance, one model suggests that the dominant factor is a reduction of Coulomb forces; another favours minimization of 'dangling bonds' by charge transfer to states below the Fermi energy. The surface structure and properties of SrTiO(3)--a standard model for oxides with a perovskite structure--have been studied extensively. Here we report a solution of the 2 x 1 SrTiO(3) (001) surface structure obtained through a combination of high-resolution electron microscopy and theoretical direct methods. Our results indicate that surface rearrangement of TiO(6-x) units into edge-sharing blocks determines the SrO-deficient surface structure of SrTiO(3). We suggest that this structural concept can be extended to perovskite surfaces in general.
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              Understanding the nature of "superhard graphite"

              Salah Eddine Boulfelfel, Artem Oganov, Stefano Leoni (2012)
              Numerous experiments showed that on cold compression graphite transforms into a new superhard and transparent allotrope. Several structures with different topologies have been proposed for this phase. While experimental data are consistent with these models, the only way to solve this puzzle is to find which structure is kinetically easiest to form. Using state-of-the-art molecular-dynamics transition path sampling simulations, we investigate kinetic pathways of the pressure-induced transformation of graphite to various superhard candidate structures. Unlike hitherto applied methods for elucidating nature of superhard graphite, transition path sampling realistically models nucleation events necessary for physically meaningful transformation kinetics. We demonstrate that nucleation mechanism and kinetics lead to \(M\)-carbon as the final product. \(W\)-carbon, initially competitor to \(M\)-carbon, is ruled out by phase growth. Bct-C\(_4\) structure is not expected to be produced by cold compression due to less probable nucleation and higher barrier of formation.
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                Author and article information

                Contributors
                Ulrike Diebold
                Journal
                Journal ID (nlm-ta): Surf Sci
                Journal ID (iso-abbrev): Surf Sci
                Title: Surface Science
                Publisher: North-Holland Pub. Co
                ISSN (Print): 0039-6028
                Publication date PMC-release: 1 March 2014
                Publication date (Print): March 2014
                Volume: 621
                Issue: 100
                Pages: L1-L4
                Affiliations
                Institute of Applied Physics, Vienna University of Technology, Austria
                Author notes
                [* ]Corresponding author at: Institute of Applied Physics (E134), Vienna University of Technology, Wiedner-Hauptstraße 8-10, 1040 Wien, Austria.
                [1]

                Tel.: + 43 1 58801 13425.

                Article
                Publisher ID: S0039-6028(13)00311-7
                DOI: 10.1016/j.susc.2013.10.015
                PMC ID: 3990415
                PubMed ID: 24748691
                SO-VID: b67ca810-0a02-4616-afa9-db52312eba94
                Copyright © © 2014 Elsevier B.V.
                License:

                This document may be redistributed and reused, subject to certain conditions.

                History
                Date received : 30 July 2013
                Date accepted : 14 October 2013
                Categories
                Subject: Surface Science Letters

                ScienceOpen disciplines: Thin films & surfaces
                Keywords: scanning tunneling microscopy,low energy electron diffraction,low energy ion scattering,x-ray photoelectron spectroscopy,surface stoichiometry,strontium titanate
                Data availability:
                ScienceOpen disciplines: Thin films & surfaces
                Keywords: scanning tunneling microscopy, low energy electron diffraction, low energy ion scattering, x-ray photoelectron spectroscopy, surface stoichiometry, strontium titanate

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