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Study of the H chemisorption on a Cu surface by the recursion method
AIO the basis of the interaction mechanism described by H.D. Hagstrum, and which was shown to be valid for the He*-Mo couple in a previous article and again here, the secondary electron energy spectra are interpretated as relating to the self-convolution product of the electron state density of occupied valence band levels of the solid. The results obtained after deconvolution show the variations in this density of states during oxygen and carbon monoxide adsorption, and they are compared with photoemission spectra (UPS) obtained at the same time as the MDS spectra. They show that MDS is a technique well suited to the study of adsorption phenomena.
Surface Science 91 (1980) 327-338 © North-Holland Publishing Company S T U D Y O F THE H C H E M I S O R P T I O N ON A Cu S U R F A C E BY THE R E C U R S I O N METHOD G. CUBIOTTI and B. G I N A T E M P O
Instituto di Fisica, UniversitY, 98100 Messina, Italy Gruppo Nazionale Struttura della Materia del CNR, Messina, Italy Centro Siciliano Ricerche Nucleari e Struttura della Materia, Messina, Italy Received 13 March 1979; accepted for publication 18 May 1979 The electron density of states and the chemisprption energy have been calculated for the case of tt on a Cu(111) surface, by means of the recursion method in connection with the continued fraction technique, in a self-consistent Hartree-Fock scheme. The Slater-Koster parameters existing in literature for Cu have been used, while a parametrized form has been taken for the H-metal interaction. The relative role of the d-bands and of the s-band have been investigated. It is shown how, by taking into account the importance of the s-band in the chemisorption process, it is possible to have results which fit well experimental results as well as other theoretical calculations.
Surface Science 91 (1980) 339-357 © North-Holland Publishing Company I N T E R A C T I O N BETWEEN A He ATOM A N D A G R A P H I T E S U R F A C E * William E. C A R L O S ** and Milton W. COLE
Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802, USA Received 26 June 1979 A study is presented of the interaction V(r) between a He atom and a graphite surface. V(r) is assumed equal to a sum of pair interactions U(r - Ri) between the He and C atoms. None of a set of isotropic potentials (dependent only on the magnitude I r - Ril) is consistent with recent scattering data. Anisotropic pair potentials, in contrast, are found to yield good agreement. The origin of this anisotropy is analyzed in terms of the graphite dielectric function and charge density.
Surface Science 91 (1980) 327-338 © North-Holland Publishing Company S T U D Y O F THE H C H E M I S O R P T I O N ON A Cu S U R F A C E BY THE R E C U R S I O N METHOD G. CUBIOTTI and B. G I N A T E M P O
Instituto di Fisica, UniversitY, 98100 Messina, Italy Gruppo Nazionale Struttura della Materia del CNR, Messina, Italy Centro Siciliano Ricerche Nucleari e Struttura della Materia, Messina, Italy Received 13 March 1979; accepted for publication 18 May 1979 The electron density of states and the chemisprption energy have been calculated for the case of tt on a Cu(111) surface, by means of the recursion method in connection with the continued fraction technique, in a self-consistent Hartree-Fock scheme. The Slater-Koster parameters existing in literature for Cu have been used, while a parametrized form has been taken for the H-metal interaction. The relative role of the d-bands and of the s-band have been investigated. It is shown how, by taking into account the importance of the s-band in the chemisorption process, it is possible to have results which fit well experimental results as well as other theoretical calculations.
Surface Science 91 (1980) 339-357 © North-Holland Publishing Company I N T E R A C T I O N BETWEEN A He ATOM A N D A G R A P H I T E S U R F A C E * William E. C A R L O S ** and Milton W. COLE
Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802, USA Received 26 June 1979 A study is presented of the interaction V(r) between a He atom and a graphite surface. V(r) is assumed equal to a sum of pair interactions U(r - Ri) between the He and C atoms. None of a set of isotropic potentials (dependent only on the magnitude I r - Ril) is consistent with recent scattering data. Anisotropic pair potentials, in contrast, are found to yield good agreement. The origin of this anisotropy is analyzed in terms of the graphite dielectric function and charge density.