By PRIGOGINE, RICE
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Extra resources for Advances in Chemical Physics: Aspects of the Study of Surfaces, Volume 27
This is the form of the potential used in “multiple-beam” analyses of LEED intensities which have been reviewed recently by Stern, Perry, and B o ~ d r e a u x . ’The ~ ~ Fourier expansion given by (19) applies only if the potential is perfectly periodic, that is, the surface ion-core potentials are identical to those in the bulk. We found in Part I1 that such is not the case. , in the presence of adsorbed overlayers) and they are always vibrationally and electronically inequivalent because of their reduced coordination.
The temperature dependence of LEED intensities provides, moreover, the major source of information about surface atomic vibrations. Thus, on the basis of the surface sensitivity and completeness criteria alone, LEED is an essential ingredient of any instrument designed to study large-area single-crystal surfaces. In addition, LEED is currently the most quantitative of the surface analysis methods. Error analyses have been given for its applications to surface crystallography,6 the spectroscopy of surface atomic vibrations,8 and the spectroscopy of surface plasmon dispersion and Analyses of observed elastic and inelastic LEED intensities have been carried out within a single theoretical framework (the inelastic collision rnodel6-l3)and utilized to determine the geometrical, electronic, and vibrational parameters characterizing single-crystal surfaces.
Our considerations concerning the nature and importance of model parameters suggest that we adopt a four-step approach to the analysis of LEED intensity data. A, 1. The nature of electron-solid interactions is examined in order to construct a suitable model on which to base a calculation of the intensities. 2. Given the model Hamiltonian, an accurate evaluation of these intensities is performed via the solution of the resulting (nonrelativistic) Schrodinger equation. 3. The sensitivity of the predicted intensities to the values of the model parameters is investigated in order to determine the consequences of anticipated uncertainties in the precise description of the electron-solid interactions.
Advances in Chemical Physics: Aspects of the Study of Surfaces, Volume 27 by PRIGOGINE, RICE