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Trapping of lattice polarons by impurities

Hague, J. P.; Kornilovitch, P. E. and Alexandrov, A.S. (2008). Trapping of lattice polarons by impurities. Physical Review B, 78(9) 092302.

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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 intermediate-coupling low-phonon-frequency polarons are localized by exceptionally small impurities.

Item Type: Journal Item
ISSN: 1098-0121
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
Faculty of Science, Technology, Engineering and Mathematics (STEM)
Research Group: Physics
Item ID: 12307
Depositing User: James Hague
Date Deposited: 17 Nov 2008 13:07
Last Modified: 07 Dec 2018 10:31
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