Analytical solution of open crystalline linear 1D tight-binding models

Abstract

A method for finding the exact analytical solutions for the bulk and edge energy levels and corresponding eigenstates for all commensurate Aubry–André/Harper single-particle models under open boundary conditions is presented here, both for integer and non-integer number of unit cells. The solutions are ultimately found to be dependent on the behavior of phase factors whose compact formulas, provided here, make this method simple to implement computationally. The derivation employs the properties of the Hamiltonians of these models, all of which can be written as Hermitian block-tridiagonal Toeplitz matrices. The concept of energy spectrum is generalized to incorporate both bulk and edge bands, where the latter are a function of a complex momentum. The method is then extended to solve the case where one of these chains is coupled at one end to an arbitrary cluster/impurity. Future developments based on these results are discussed.