BAND STRUCTURE AND IMPURITY STATES

A general formulation of the theory of electron impurity states in a lattice in the extended zone scheme is presented. The dependence of the impurity states on the band structure is discussed, and it is shown that the existence of secondary extrema in the band structure may produce additional bound and resonant states. A prescription is given for computing such states and for estimating the probabilities of transitions to them from the ground state; some properties of these transition probabilities are discussed. Solutions of onedimensional models are presented explicitly. © 1969 The American Physical Society.