Atom scattering

An important simplification in the analysis of He scattering is the large mass mismatch between He and most other atoms that are the constituents of solid surfaces. Therefore, energy transfer between the He atom and the surface is very much limited and elastic He diffraction or inelastic He scattering can be modelled rather easily and quantum mechanically. The situation is very different when heavier atoms or molecules are scattered from a surface. In this case energy exchange between projectile and surface will be facile, and in most cases only classical mechanics can be used to model the interaction. Most of the 

A Flat surface, purely repulsive T i=oonst 1 1 C Corrugated surface + attractive welt aaAaaa  

B Corrugated surface, purely repulsive 000000 a D Orientation dependent partially passivated wetl 1 Dqc  

Molecular scattering at bare surfaces, angular distributions and energy transfer 

The effect of internal excitation on angular distributions and energy transfer will be discussed in a next section. Here it might be sufficient to state that the major part of the energy transfer is towards the lattice, and it that respect the influence of the internal degrees of freedom is not so large. 

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The energies of the selective adsorption resonances are very sensitive to the details of the physisorption potential. Accurate measurement allied to computation of bound state energies can be used to obtain a very accurate quantitative fonn for the physisorption potential, as has been demonstrated for helium atom scattering. For molecules, we have... 

Vibrational spectroscopy provides detailed infonnation on both structure and dynamics of molecular species. Infrared (IR) and Raman spectroscopy are the most connnonly used methods, and will be covered in detail in this chapter. There exist other methods to obtain vibrational spectra, but those are somewhat more specialized and used less often. They are discussed in other chapters, and include inelastic neutron scattering (INS), helium atom scattering, electron energy loss spectroscopy (EELS), photoelectron spectroscopy, among others. 

Figure Bl.8.1. The atomic scattering factor from a spherically synnnetric atom. The volume element is a ring subtending angle a with width da at radius r and thickness dr.

Because the neutron has a magnetic moment, it has a similar interaction with the clouds of impaired d or f electrons in magnetic ions and this interaction is important in studies of magnetic materials. The magnetic analogue of the atomic scattering factor is also tabulated in the International Tables [3]. Neutrons also have direct interactions with atomic nuclei, whose mass is concentrated in a volume whose radius is of the order of... 

The atomic scattering factor for electrons is somewhat more complicated. It is again a Fourier transfonn of a density of scattering matter, but, because the electron is a charged particle, it interacts with the nucleus as well as with the electron cloud. Thus p(r) in equation (B1.8.2h) is replaced by (p(r), the electrostatic potential of an electron situated at radius r from the nucleus. Under a range of conditions the electron scattering factor, y (0, can be represented in temis... 

Equation (Bl.8.6) assumes that all unit cells really are identical and that the atoms are fixed hi their equilibrium positions. In real crystals at finite temperatures, however, atoms oscillate about their mean positions and also may be displaced from their average positions because of, for example, chemical inlioniogeneity. The effect of this is, to a first approximation, to modify the atomic scattering factor by a convolution of p(r) with a trivariate Gaussian density function, resulting in the multiplication ofy ([Pg.1366]

Potassium chloride actually has the same stnicture as sodium chloride, but, because the atomic scattering factors of potassium and chlorine are almost equal, the reflections with the indices all odd are extremely weak, and could easily have been missed in the early experiments. The zincblende fonn of zinc sulphide, by contrast, has the same pattern of all odd and all even indices, but the pattern of intensities is different. This pattern is consistent with a model that again has zinc atoms at the comers and tlie face centres, but the sulphur positions are displaced by a quarter of tlie body diagonal from the zinc positions. 

A teclmique that employs principles similar to those of isomorphous replacement is multiple-wavelength anomalous diffraction (MAD) [27]. The expression for the atomic scattering factor in equation (B1.8.2h) is strictly accurate only if the x-ray wavelength is well away from any characteristic absorption edge of the element, in which case the atomic scattering factor is real and Filiki) = Fthkl V- Since the diffracted... 

The major role of TOF-SARS and SARIS is as surface structure analysis teclmiques which are capable of probing the positions of all elements with an accuracy of <0.1 A. They are sensitive to short-range order, i.e. individual interatomic spacings that are <10 A. They provide a direct measure of the interatomic distances in the first and subsurface layers and a measure of surface periodicity in real space. One of its most important applications is the direct determination of hydrogen adsorption sites by recoiling spectrometry [12, 4T ]. Most other surface structure teclmiques do not detect hydrogen, with the possible exception of He atom scattering and vibrational spectroscopy. 

Figure 4 Interference pettern created when regularly spaced atoms scatter an incident plane wave. A spherical wave emanates from each atom diffracted beams form at the directions of constructive interference between these waves. The mirror reflection—the (00) beam—and the first- and second-order diffracted beams are shown.

The Calculation and Interpretation of X-ray Term Values, and the Calculation of Atomic Scattering Factors... 

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