posted on 2009-02-25, 13:10authored byJ.P. Hague, P.E. Kornilovitch, A.S. Alexandrov
We consider the effects of impurities on polarons in three dimensions 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 by developing 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 combined with a
sharp decrease in kinetic energy. The polaron binding diagram is computed, showing that intermediatecoupling
low-phonon-frequency polarons are localized by exceptionally small impurities.
History
School
Science
Department
Physics
Citation
HAGUE, J.P., KORNILOVITCH, P.E. and ALEXANDROV, A.S., 2008. Trapping of lattice polarons by impurities. Physical Review B, 78(9), 092302 pp. 1-4.