Reduced Hamiltonian method for solving the tight-binding model of interfaces

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Abstract
A new method is presented for solving the tight-binding equations for interfaces and surfaces. The method can be applied to a variety of interfacial situations including heterojunctions and superlattices in which disruptions occur over many atomic layers away from the interfaces. The method features an expansion of the total wave function in terms of bulk states with complex wave vectors in regions where there is no interfacial disruption, and transfer matrices in regions where there is interfacial disruption. It is simple to implement and computationally more efficient than any previous method of solving the interface tight-binding equations.