On the application of Marcus–Hush theory to small polaron chemical dynamics in oxides: its relationship to the Holstein model and the importance of lattice–orbital symmetries

Author:

Wang Zi1,Miglani Bobby1ORCID,Yuan Shuaishuai1,Bevan Kirk H.12ORCID

Affiliation:

1. Division of Materials Engineering, Faculty of Engineering, McGill University, Montréal, Québec, Canada

2. Centre for the Physics of Materials, McGill University, Montréal, Québec, Canada

Abstract

The chemical dynamics of small polaron hopping within oxides is often interpreted through two-site variations on Marcus–Hush theory, while from a physics perspective small polaron hopping is more often approached from Holstein's solid-state formalism.

Funder

Natural Sciences and Engineering Research Council of Canada

Fonds Québécois de la Recherche sur la Nature et les Technologies

Publisher

Royal Society of Chemistry (RSC)

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