Models of interatomic forces

A. P, Sutton and R. W. Balluffi, Interfaces in Crystalline Materials, Clarendon Press, Oxford, 1995, pp. 150-239. Models of Interatomic Forces at Interfaces. 

Accurate dynamical studies, such as those discussed above, are limited to small molecular systems and relatively short times (e.g., typically 100 vibrational periods). These restrictions stem from a number of sources. First, reliable computations of forces between atoms in large molecular systems are extremely difficult, and few quantitatively accurate models of interatomic forces exist. Sec-... 

Phonon dispersion curves w(q) can be measured by inelastic neutron scattering techniques this important method will be discussed in [1.35]. The curves determined by experiments are mainly of interest because they provide chance of testing various models of interatomic forces. The forces between the atoms are governed by the electronic structure of the atoms involved, and in simple cases it is possible to derive force constants from "first principles" which are based on the electronic wave functions [4.1-5]. With the exception of some qualitative remarks about metals, we shall not discuss these microscopic models here but consider only certain phenomenological models for the interatomic forces. A good model should contain only a few, but physically meaningful, parameters. 

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