An improved variational approach to off-diagonal exciton-phonon coupling

An improved variational approach to off-diagonal exciton-phonon coupling

A state-of-the-art variational wave function incorporating Jastrow-type exciton-phonon correlations, the global-local Ansatz, is utilized to elucidate exciton-phonon correlations in a generalized form of the Holstein Hamiltonian with the simultaneous presence of diagonal and off-diagonal exciton-pho...

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Bibliographic Details
Main Authors: Zhao, Yang, Li, Guangqi, Sun, Jin, Wang, Weihua
Other Authors: School of Materials Science & Engineering
Format: Article
Language:English
Published: 2011
Subjects:
DRNTU::Science::Physics::Atomic physics::Solid state physics
Online Access:https://hdl.handle.net/10356/92421
http://hdl.handle.net/10220/6747
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Institution: Nanyang Technological University
Language: English
Description
Summary:A state-of-the-art variational wave function incorporating Jastrow-type exciton-phonon correlations, the global-local Ansatz, is utilized to elucidate exciton-phonon correlations in a generalized form of the Holstein Hamiltonian with the simultaneous presence of diagonal and off-diagonal exciton-phonon coupling. Much lowered ground-state energies are found for the global-local Ansatz when compared with the previously studied Toyozawa Ansatz. A three-dimensional phase diagram spanned by the transfer integral and two forms of exciton-phonon coupling is given to illustrate polaronic self-trapping near the zone center.

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