He interaction with Xe and Kr adsorbed on graphite or Ag surfaces

Chung, Soohee; Holter, Neal S.; Cole, Milton W.

doi:10.1103/physrevb.31.6660

Cited by 42 publications

(3 citation statements)

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“…A direct inversion method for recovering the interaction potential from diffraction data using the sudden approximation was presented by and applied to the He/MgO(100) system by Yinnon et al (1986b). Another method consists in separating the potential into various terms of multibody contributions (taken from gas-phase data), following the prescription of Chung et al (1985Chung et al ( , 1986. Elastic closecoupling calculations are then compared with diffraction spectra and SAR measurements.…”

Section: Selective Adsorption Resonancesmentioning

confidence: 99%

Atomic beam diffraction from solid surfaces

1998

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Atomic beam techniques are presently being used in many branches of surface physics such as studies of the particle-surface physisorption potential, surface structure, surface phonons, nucleation and growth on metal and insulator surfaces, surface diffusion and accommodation and sticking of molecules. This review concentrates on diffractive phenomena from surfaces, which up to now were investigated mainly with helium. The theoretical background for diffraction calculations is outlined and representative examples of different applications are given. The main subjects covered are: structural determinations of chemisorbed and physisorbed systems, investigations of disordered surfaces, selective adsorption resonances, diffusion and nucleation studies and investigations of growth and phase transitions on surfaces. Diffraction results obtained with Ne, Ar, H 2 and D 2 are also summarized.

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Section: Selective Adsorption Resonancesmentioning

confidence: 99%

Atomic beam diffraction from solid surfaces

1998

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“…27 The interatomic interactions of hydrogen molecules in stage-2 Rb GIC, however, has not received previous attention. Our construction of pairwise potentials is guided by LDFT total-energy calculations.…”

Section: A Interatomic Potentialsmentioning

confidence: 99%

Quasi-two-dimensional quantum states ofH2in stage-2 Rb-intercalated graphite

et al. 1996

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Inelastic-incoherent-neutron scattering can be a valuable nanostructural probe of H 2 -doped porous materials, provided the spectral peaks can be interpreted in terms of crystal-field-split hydrogen-molecule energy levels, which represent a signature of the local symmetry. Inelastic-neutron-scattering measurements as well as extensive theoretical analyses have been performed on stage-2 Rb-intercalated graphite ͑Rb-GIC͒, with physisorbed H 2 , HD, and D 2 ͓composition C 24 M͑H 2 ) x , with xϭ 0.8 or 1.0͔, a layered porous system with abundant spectral peaks, to assess whether the crystal-field-state picture enables a quantitative understanding of the observed structure. The experiments were made at 15 K on the QENS spectrometer at the intense pulsed neutron source. Potential-energy surfaces for molecular rotational and translational motion ͑parallel and perpendicular to the intercalant plane͒, as well as the intermolecular interactions of hydrogen molecules in Rb-GIC, were calculated within local-density-functional theory ͑LDFT͒. A ͱ7ϫͱ7 periodic unit cell ͑with composition C 28 Rb͒ was treated in the calculations. Model potentials, parametrized using results of the LDFT calculations, were employed in schematic calculations of rotational and translational excited state spectra of a single physisorbed H 2 molecule in Rb-GIC. Results of our analysis are basically consistent with the assignment by Stead et al. of the lowest-lying peak at 1.4 meV to a rotational-tunneling transition of an isotropic hindered-rotor oriented normal to the planes, but indicate a small azimuthal anisotropy and a lower barrier than for the isotropic case. A peak of low intensity at 4.0 meV is most likely a host feature. Based on the experimental isotope shifts and the theoretically predicted states, we conclude that spectral peaks at 11 and 22 meV are most likely related to center of mass excitations. We attribute the relatively weak peak at 32 meV to a librational excitation, and that at 44 meV to an out-of-plane vibration.

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“…Here r is the separation distance, and the coefficients C s1 and C s2 are written in terms of the integrals of the polarizability of the adatoms and the dielectric constant of the medium. This form was applied by Cole and co-workers [23][24][25][26] to a number of systems. By studying the two-dimensional second virial coefficient, Everett and coworkers have proposed a number of equations to account for the surface mediation.…”

Section: Theorymentioning

confidence: 99%