The Structure of Surfaces

Front Matter....Pages I-XII Introduction....Pages 1-2 Front Matter....Pages 3-3 Theory of Surface Reconstruction....Pages 4-11 Electronic and Magnetic Properties of Transition-Metal Surfaces, Interfaces and Overlayers....Pages 12-17 The Binding of Adsorbates to Metal Surfaces....Pages 18-28 Energy Minimization Calculations for Diamond (111) Surface Reconstructions....Pages 29-34 Total Energies and Atom Locations at Solid Surfaces....Pages 35-40 Theory of Hydrogen on Metal Surfaces....Pages 41-45 Front Matter....Pages 47-47 The Surface Topography of a Pd(100) Single Crystal and Glassy Pd 81 Si 19 Studied by Scanning Tunneling Microscopy....Pages 48-53 Theory of the Scanning Tunneling Microscope....Pages 54-54 Reflection Electron Microscopy Studies of Crystal Lattice Termination at Surfaces....Pages 55-59 Surface Structure by X-Ray Diffraction....Pages 60-65 Optical Transitions and Surface Structure....Pages 66-69 High-Resolution Infrared Spectroscopy and Surface Structure....Pages 70-76 Optical Second Harmonic Generation for Surface Studies....Pages 77-83 NMR and Surface Structure....Pages 84-89 Front Matter....Pages 91-91 Determination of Surface Structure by LEED....Pages 92-99 Structure Determination of Molecular Adsorbates with Dynamical LEED and HREELS....Pages 100-104 Computer Controlled LEED Intensity and Spot Profile Determination....Pages 105-112 On the Role of Space Inhomogeneity of Electron Damping in LEED....Pages 113-116 Attenuation of Isotropically Emitted Electron Beams....Pages 117-123 Front Matter....Pages 91-91 Surface Structure Analysis by Atomic Beam Diffraction....Pages 176-186 Structure Analysis of a Semiconductor Surface by Impact Collision Ion Scattering Spectroscopy (ICISS): Si(lll) $$\left( {\sqrt 3 \times \sqrt 3 } \right)$$ R30oAg....Pages 187-190 Surface Structure Determination with ARPEFS....Pages 191-198 Angle Resolved XPS of the Epitaxial Growth of Cu on Ni(100)....Pages 199-203 Evidence for Diffusion at 80 K of Gold Atoms Through Thin, Defective Oxide Layers....Pages 204-209 Surface Characterization by the Inelastic Scattering of Neutrons from Adsorbates....Pages 210-218 Infrared and Neutron-Scattering Studies of Ethene Adsorbed onto Partially Exchanged Zinc A Zeolite....Pages 219-224 LEED, XANES and the Structure of Disordered Surfaces....Pages 124-130 The Structure of Organic Adsorbates from Elastic Diffuse LEED....Pages 131-134 Multiple Scattering Effects in Near-Edge X-Ray Absorption Spectra....Pages 135-139 NEXAFS and SEXAFS Studies of Chemisorbed Molecules: Bonding, Structure and Chemical Transformations....Pages 140-148 Current Status and New Applications of SEXAFS: Reactive Chemisorption and Clean Surfaces....Pages 149-155 Electron-Phonon Scattering and Structure Analysis....Pages 156-162 Shape Resonances in OH Groups Chemisorbed on the (100)Surface of Ge-Si Alloys....Pages 163-169 Structure and Temperature-Dependent Polaron Shifts on Si(lll) (2 × 1)....Pages 170-175 Front Matter....Pages 225-225 Theoretical Study of the Structural Stability of the Reconstructed (110) Surfaces of Ir, Pt and Au....Pages 226-230 The Structure and Surface Energy of Au(110) Studied by Monte Carlo Method....Pages 231-236 Long- and Short-Range Order Fluctuations in the H/W(100) System....Pages 237-245 Synchrotron X-Ray Scattering Study of a Chemisorption System: Oxygen on Cu(110) Surface....Pages 246-250 Helium Diffraction from Oxygen-Covered Nickel Surfaces....Pages 251-256 Front Matter....Pages 225-225 Competing Reconstruction Mechanisms in H/Ni(110)....Pages 257-263 The Uses and Limitations of ESDIAD for Determining the Structure of Surface Molecules....Pages 264-268 The Study of Simple Reactions at Surfaces by High-Resolution Electron Energy Loss Spectroscopy....Pages 269-275 Front Matter....Pages 277-277 Triangle-Dimer Stacking-Fault Model of the Si(111) 7×7 Surface Bonding Configuration....Pages 278-284 Structure of the Si (111) 2 × 1 Surface....Pages 285-292 Refinement of the Buckled-Dimer Model for Si(001)2×1....Pages 293-297 Surface Relaxation and Vibrational Excitations on the Si (001) 2 × 1 Surface....Pages 298-302 The Geometric Structure of the (2 × 2) GaAs(111) Surface....Pages 303-307 A Comparison Between the Electronic Properties of GaAs(111) and GaAs( $$\bar 1\bar 1\bar 1$$ )....Pages 308-312 X-Ray Diffraction from the (3 × 3) Reconstructed $$\bar 1\bar 1\bar 1$$ B Surface of InSb....Pages 313-316 Atomic and Electronic Structure of p (1 × 1) Overlayers of Sb on the (110) Surfaces of III-V Semiconductors....Pages 317-320 Models for Si (111) Surface upon Ge Adsorption....Pages 321-325 The Graphite (0001)-(2 × 2)K Surface Intercalated Structure....Pages 326-331 Front Matter....Pages 333-333 Energetics of the Incommensurate Phase of Krypton on Graphite: A Computer Simulation Study....Pages 334-340 Theory of Commensurate-Incommensurate Phase Transitions in W(001)....Pages 341-346 Molecular Dynamics Investigation of Dislocation-Depinning Transitions in Mismatched Overlayers....Pages 347-350 Quantitative Analysis of LEED Spot Profiles....Pages 351-356 Measurement of the Specific Heat Critical Exponent Using LEED....Pages 357-360 Short-Range Correlations in Imperfect Surfaces and Overlayers....Pages 361-365 Domain Size Determination in Heteroepitaxial Systems from LEED Angular Profiles....Pages 366-374 Front Matter....Pages 333-333 Diffusion and Interaction of Adatoms....Pages 375-388 Atom-Probe and Field Ion Microscope Studies of the Atomic Structure and Composition of Overlayers on Metal Surfaces....Pages 389-396 LEED Studies of Physisorbed Noble Gases on Metals and Interadatom Interactions....Pages 397-403 Phases and Phase Transitions in Two Dimensional Systems with Competing Interactions....Pages 404-412 Diffraction from Pinwheel and Herringbone Structures of Nitrogen and Carbon Monoxide on Graphite....Pages 413-420 X-Ray Scattering Studies: The Structure and Melting of Pb on Cu(110) Surfaces....Pages 421-426 Back Matter....Pages 427-438 This book is a collection of selected papers presented at the First Interna­ ti onal Conference on the Structure of Surfaces (ICSOS-1). ICSOS-1 was hel d on the Berkeley campus of the University of California during August 13-16, 1984. The International Organizing Committee members were: S.Y. Tong (Chairman), M.A. Van Hove (Vice-Chairman), D.A. King (Secretary), D.J. Chadi (Treasurer), D.L. Adams, A.M. Bradshaw, M.J. Cardillo, J.E. Demuth, J. Eckert, G. Ertl, B.I. Lundqvist, J.B. Pendry, Y. Petroff, M. Simonetta, J.R. Smith, G.A. Somorjai, J. Stohr, R. Ueda, and X.D. Xie. The series of ICSOS meetings was initiated to assess the status of surface­ structural determi nati on and the rel ati onshi p between surface or interface structures and physical or chemical properties of interest. The subject mat­ ter includes solid and adsorbate-covered surfaces, well-established and promising new surface-sensitive techniques, and results of experimental and theoretical studies. The physical and chemical properties of a surface or interface are often critically determined by its atomic-scale structure. A variety of techniques has been developed to study this structure and its connection with the sur­ face or interface properties of single crystals and of imperfect and amor­ phous interfaces. The papers in this book cover the theory of surface structure, new analy­ tical techniques for surface structure, new developments in established structural techni ques, recent structural resul ts, defect structures, and phase transitions at surfaces