The energies of neutral donors in a weakly compensated classical impurity band

Publisher Website
Google Scholar
Abstract
Computer simulation of the classical impurity band is carried out using donors and acceptors constrained to a lattice with quasiperiodic boundaries. This approach has the advantage that contributions to donor site energies from the acceptors are not uncorrelated and is validated by a benchmark simulation which does not impose a lattice structure. Simulation of the low-compensation regime using a system with 8000 sites gives a series of pseudo-ground states from initial states containing only independent 1-complexes. It is found that an independent dipolar theory accounts for the distribution of site energies of neutral donors in the initial state. Although this is no longer true for the final state, indicating that strictly the compensation used is too large to permit the structure of the classical impurity band to be specified by the simple asymptotic theory, empirical agreement may be restored via rescaling of an energy that characterises the latter.

This publication has 12 references indexed in Scilit: