Trapping of lattice polarons by impurities
Abstract
We consider the effects of single impurities on polarons in three-dimensions (3D) using a continuous time quantum Monte-Carlo algorithm. An exact treatment of the phonon degrees of freedom leads to a very efficient algorithm and we are able to compute the polaron dynamics on an infinite lattice using an auxiliary weighting scheme. The magnitude of the impurity potential, the electron-phonon coupling and the phonon frequency are varied. We determine the magnitude of the impurity potential required for polaron trapping. For small electron-phonon coupling the number of phonons increases dramatically on trapping. The polaron binding diagram is computed, showing that intermediate-coupling low-phonon-frequency polarons are localized by exceptionally small impurities.
Keywords
Cite
@article{arxiv.0805.2556,
title = {Trapping of lattice polarons by impurities},
author = {J. P. Hague and P. E. Kornilovitch and A. S. Alexandrov},
journal= {arXiv preprint arXiv:0805.2556},
year = {2008}
}
Comments
4 pages, 4 figures