Real Time Dynamics of Hole Propagation in Strongly Correlated Conjugated Molecular Chains: A time-dependent DMRG Study

Authors: Dutta, Tirthankar; Ramasesha, S.

Source: Computing Letters, Volume 3, Numbers 2-4, 2007 , pp. 457-472(16)

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Abstract:

In this paper, we address the role of electron-electron interactions on the velocities of spin and charge transport in one-dimensional systems typified by conjugated polymers. We employ the Hubbard model to model electron-electron interactions. The recently developed technique of time dependent Density Matrix Renormalization Group (tdDMRG) is used to follow the spin and charge evolution in an initial wavepacket described by a hole doped in the ground state of the neutral system. We find that the charge and spin velocities are different in the presence of correlations and are in accordance with results from earlier studies; the charge and spin move together in the noninteracting picture while interaction slows down only the spin velocity. We also note that dimerization of the chain only weakly affects these velocities.

Keywords: TDDMRG; SPIN-CHARGE TRANSPORT; PI-CONJUGATED POLYMERS; HUBBARD MODEL

Document Type: Research article

Affiliations: 1: Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore - 560012, India

Publication date: 2007-11-01