Interatomic

EXAFS Extended X-ray absorption fine structure spectroscopy. A spectroscopic technique which can determine interatomic distances very precisely. 

A related approach carries out lattice sums using a suitable interatomic potential, much as has been done for rare gas crystals [82]. One may also obtain the dispersion component to E by estimating the Hamaker constant A by means of the Lifshitz theory (Eq. VI-30), but again using lattice sums [83]. Thus for a FCC crystal the dispersion contributions are... 

EXAFS Extended x-ray absorption fine structure [177, 178] Variation of x-ray absorption as a function of x-ray energy beyond an absorption edge the probability is affected by backscattering of the emitted electron from adjacent atoms Number and interatomic distance of surface atoms... 

A fundamental approach by Steele [8] treats monolayer adsorption in terms of interatomic potential functions, and includes pair and higher order interactions. Young and Crowell [11] and Honig [20] give additional details on the general subject a recent treatment is by Rybolt [21]. 

Figure Al.5.3 shows that, as in interactions between other species, the first-order energy for Fte-Fle decays exponentially with interatomic distance. It can be fitted [70] within 0.6% by a fimction of the fonn... 

A more natural way to account for the anisotropy is to treat tire parairreters in an interatomic potential, such as equation (A 1.5.64). as fiurctioirs of the relative orientation of the interacting molecules. Comer [131] was perhaps the first to use such an approach. Pack [132] pointed out that Legendre expansions of the well depth e and equilibrium location of the interaction potential converge more rapidly tirair Legendre expansions of the potential itself... 

Thakkar A J and Smith V H Jr 1974 On a representation of the long range interatomic interaction potential J. Phys. B At. Moi. Phys. 7 L321... 

Wheatley R J and Meath W J 1993 Dispersion energy damping functions, and their relative scale with interatomic separation, for (H,He,Li)-(H,He,Li) interactions Mol. Phys. 80 25... 

Meath W J and Koulis M 1991 On the construction and use of reliable two- and many-body interatomic and intermolecular potentials J. Moi. Struct. (Theochem) 226 1... 

Aziz R A 1984 Interatomic potentials for rare-gases pure and mixed interactions Inert Gases Potentials, Dynamics and Energy Transfer in Doped Crystals ed M L Klein (Berlin Springer) oh 2, pp 5-86... 

Infomiation about interatomic potentials comes from scattering experiments as well as from model potentials fitted to the themiodynamic and transport properties of the system. We will confine our discussion mainly to... 

Themiodynamic stability requires a repulsive core m the interatomic potential of atoms and molecules, which is a manifestation of the Pauli exclusion principle operating at short distances. This means that the Coulomb and dipole interaction potentials between charged and uncharged real atoms or molecules must be supplemented by a hard core or other repulsive interactions. Examples are as follows. 

Statistical mechanical theory and computer simulations provide a link between the equation of state and the interatomic potential energy functions. A fluid-solid transition at high density has been inferred from computer simulations of hard spheres. A vapour-liquid phase transition also appears when an attractive component is present hr the interatomic potential (e.g. atoms interacting tlirough a Leimard-Jones potential) provided the temperature lies below T, the critical temperature for this transition. This is illustrated in figure A2.3.2 where the critical point is a point of inflexion of tire critical isothemr in the P - Vplane. 

We will describe integral equation approximations for the two-particle correlation fiinctions. There is no single approximation that is equally good for all interatomic potentials in the 3D world, but the solutions for a few important models can be obtained analytically. These include the Percus-Yevick (PY) approximation [27, 28] for hard spheres and the mean spherical (MS) approximation for charged hard spheres, for hard spheres with point dipoles and for atoms interacting with a Yukawa potential. Numerical solutions for other approximations, such as the hypemetted chain (EfNC) approximation for charged systems, are readily obtained by fast Fourier transfonn methods... 

Patterson A L 1934 A Fourier series method for for the determination of the components of interatomic distances in crystals Phys. Rev. 46 372-6... 

Pethica J B 1986 Comment on interatomic forces in scanning tunnelling microscopy giant corrugations of the graphite surface Phys. Rev. Lett. 57 3235... 

Jarvis S P, Yamada H, Yamamoto S-l, Tokumoto H and Pethica J B 1996 Direct mechanical measurement of interatomic potentials Nature 384 247... 

There are two basic physical phenomena which govern atomic collisions in the keV range. First, repulsive interatomic interactions, described by the laws of classical mechanics, control the scattering and recoiling trajectories. Second, electronic transition probabilities, described by the laws of quantum mechanics, control the ion-surface charge exchange process. 

The dynamics of ion surface scattering at energies exceeding several hundred electronvolts can be described by a series of binary collision approximations (BCAs) in which only the interaction of one energetic particle with a solid atom is considered at a time [25]. This model is reasonable because the interaction time for the collision is short compared witii the period of phonon frequencies in solids, and the interaction distance is shorter tlian the interatomic distances in solids. The BCA simplifies the many-body interactions between a projectile and solid atoms to a series of two-body collisions of the projectile and individual solid atoms. This can be described with results from the well known two-body central force problem [26]. 

Atom-surface interactions are intrinsically many-body problems which are known to have no analytical solutions. Due to the shorter de Broglie wavelengdi of an energetic ion than solid interatomic spacings, the energetic atom-surface interaction problem can be treated by classical mechanics. In the classical mechanical... 

As the kinetic energy involved in the system goes higher, the interaction of energetic particles is more and more localized near the nuclei. When the interaction distance is much smaller than interatomic distances in the system, the BCA is valid ... 

---