TITLE

Vibrational dynamics of a stepped metallic surface: Step-edge phonons and terrace softening on Ni(977)

AUTHOR(S)
Niu, L.; Koleske, D. D.; Gaspar, D. J.; Sibener, S. J.
PUB. DATE
June 1995
SOURCE
Journal of Chemical Physics;6/8/1995, Vol. 102 Issue 22, p9077
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Inelastic helium atom scattering has been used to measure the surface and step localized phonons on a stepped metallic surface, Ni(977). These time-of-flight measurements were carried out both perpendicular and parallel to the step direction. Surface phonon dispersion data collected across the steps show backfolding of the surface Rayleigh mode, and, most importantly, dramatic softening as compared to the forces present at the smooth Ni(111) surface. This softening suggests significant relaxation perpendicular to the step edge. Single-phonon scattering data collected along the step direction reveals the presence of two new step-edge localized modes, as well as the Rayleigh mode for this direction of the crystal. The Rayleigh mode here does not exhibit the notable softening that was found for the other direction. Novel in- and out-of-phase scattering measurements, with respect to the terraces, lead us to assign the new step induced modes as the two transversely polarized vibrations which propagate along the direction of the step edge. An analytic one-dimensional lattice model is proposed which well represents the dispersion data for these two step modes; its use allows us to determine the effective local force field in the two transverse directions with respect to the step edge. The findings reported herein shed new light on such topics as interface stability, crystal growth, and charge redistribution in the vicinity of well-characterized extended surface defects. © 1995 American Institute of Physics.
ACCESSION #
7624246

 

Related Articles

  • Nonexponential behavior in the vibrational predissociation dynamics of I2(B,ν)–Ar13. Li, Zhiming; Borrmann, Angela; Martens, Craig C. // Journal of Chemical Physics;11/15/1992, Vol. 97 Issue 10, p7234 

    The vibrational predissociation dynamics of an Ar13 cluster containing a vibrationally excited I2 molecule in its B electronic state are studied by classical trajectory simulation. The kinetics of the loss of the first Ar atom from the cluster induced by vibrational relaxation of the diatomic...

  • Single-electron transfer in collisions of He2+ with NH3 and H2S: Vibrational state populations of NH+3 and H2S+. Fárník, Michal; Herman, Zdenek; Ruhaltinger, Thomas; Toennies, J. Peter // Journal of Chemical Physics;9/1/1995, Vol. 103 Issue 9, p3495 

    Single-electron charge transfer between He2+ and NH3 and H2S was investigated at the projectile energy of 70 eV by the translational energy spectroscopy method with a resolution of 120 meV. The products were He+*(2P) and the ground state molecular ion. Populations of the vibrational states of...

  • Numerical tests of a generalized multilevel vibronic coupling formalism. Won, Y.; Lagos, R.; Friesner, R. // Journal of Chemical Physics;6/15/1986, Vol. 84 Issue 12, p6567 

    An approximate matrix continued fraction method for calculating optical line shapes of molecular systems with multilevel excited state manifolds is compared with converged basis set results. It is shown that the theory gives correct spectral envelopes for all parameter values studied.

  • Dephasing of an anharmonic vibration in solution. Williams, Ryan B.; Loring, Roger F. // Journal of Chemical Physics;2/8/2000, Vol. 112 Issue 6 

    An approximate analytical solution of the generalized Langevin equation for a cubic oscillator [J. Chem. Phys. 110, 10899 (1999)] is applied to the vibrational dephasing of a diatomic molecule with cubic anharmonicity in a Lennard-Jones solvent. This method presents an improvement over...

  • Two-dimensional vibrational spectroscopy. V. Novel 2-dimensional surface vibrational spectroscopies of adsorbed molecules on surfaces or at interfaces. Cho, Minhaeng; Minhaeng Cho // Journal of Chemical Physics;6/8/2000, Vol. 112 Issue 22 

    Novel two-dimensional (2D) vibrational spectroscopies that are suitable for the investigation of the vibrational couplings of adsorbed molecules on surfaces or at interfaces are theoretically proposed. Depending on the sequence of the IR, Raman, and hyper-Raman transitions involved, there are...

  • Polarized liberational spectra of proton-ordered ice XI by molecular dynamics simulations. Itoh, Hidenosuke; Kawamura, Katsuyuki // Journal of Chemical Physics;9/22/1998, Vol. 109 Issue 12, p4894 

    Examines the use of molecular dynamics simulation to obtain a complete set of vibrational spectra for proton ordered ice XI. Use of Kumagai, Kawamura and Yokokawa potential model allowing unconstrained atomic motions; Comparison between the power of ice Ih and XI; Observation of spectral...

  • The dynamical basis set. Blanco, Mario; Heller, Eric J. // Journal of Chemical Physics;8/1/1985, Vol. 83 Issue 3, p1149 

    A new Cartesian basis set is defined that is suitable for the representation of molecular vibration-rotation bound states. The Cartesian basis functions are superpositions of semiclassical states generated through the use of classical trajectories that conform to the intrinsic dynamics of the...

  • Structures, inversion barriers, and parity violation effects in chiral SeOXY molecules (X,Y=H, F, Cl, Br, or I). Figgen, Detlev; Schwerdtfeger, Peter // Journal of Chemical Physics;2/7/2009, Vol. 130 Issue 5, pN.PAG 

    Parity violation (PV) effects for a series of chiral molecules of the type SeOXY (X,Y=H, F, Cl, Br, or I) are predicted from four-component relativistic Hartree–Fock and density functional theory. All optimized SeOXY structures are nonplanar with large inversion barriers ranging from 23...

  • Non-monotonic size effects on the structure and thermodynamics of Coulomb clusters in three-dimensional harmonic traps. Calvo, F.; Yurtsever, E. // European Physical Journal D -- Atoms, Molecules, Clusters & Opti;Jul2007, Vol. 44 Issue 1, p81 

    Finite-size effects on the static and thermodynamical properties of small three-dimensional clusters of identical charged particles confined by an harmonic trap are investigated using global optimization and numerical simulations. The relative stabilities of clusters containing up to 100...

Share

Read the Article

Courtesy of THE LIBRARY OF VIRGINIA

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics