Statistical Mechanics of Solids

Appendix 7: The Generalized Lattice Gas

Just as for the simple lattice gas that is equivalent to the Ising model, divide the system into cells such that, at most, only one molecule can occupy a given cell and a cell can either be occupied or empty. Let the total number of molecules be N and the total number of sites be M. Also, define a parameter that describes the occupancy of a cell as e j = 0 if the jth cell is empty, and e j = 1 if the jth cell contains a molecule. Note that

Instead of restricting ourselves to nearest neighbor interactions, let the potential energy of interaction of two atoms in two cells labeled i and j be ?v ij. That is, it is still assumed that the system can be described by pairwise central interactions, but these include all pairs and not just nearest neighbors. Note that v ij is a constant. We also assume that there is a binding energy of an atom to a cell given by ?v j o and that this can be different for every cell. If either of the two cells i and j are empty, then the interaction energy and binding energy are both zero, so the Hamiltonian of the system is

The first term on the right is a double sum over all i and j that are not equal and is multiplied by 1/2...

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