A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors

Bauer T, Jäger C, Jordan MJT, Clark T (2015)


Publication Status: Published

Publication Type: Journal article

Publication year: 2015

Journal

Publisher: American Institute of Physics (AIP)

Book Volume: 143

Journal Issue: 4

DOI: 10.1063/1.4927397

Abstract

We have developed a multi-agent quantum Monte Carlo model to describe the spatial dynamics of multiple majority charge carriers during conduction of electric current in the channel of organic fieldeffect transistors. The charge carriers are treated by a neglect of diatomic differential overlap Hamiltonian using a lattice of hydrogen-like basis functions. The local ionization energy and local electron affinity defined previously map the bulk structure of the transistor channel to external potentials for the simulations of electron- and hole-conduction, respectively. The model is designed without a specific charge-transport mechanism like hopping- or band-transport in mind and does not arbitrarily localize charge. An electrode model allows dynamic injection and depletion of charge carriers according to source-drain voltage. The field-effect is modeled by using the source-gate voltage in a Metropolis-like acceptance criterion. Although the current cannot be calculated because the simulations have no time axis, using the number of Monte Carlo moves as pseudo-time gives results that resemble experimental I/V curves. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.

Authors with CRIS profile

Additional Organisation(s)

Involved external institutions

How to cite

APA:

Bauer, T., Jäger, C., Jordan, M.J.T., & Clark, T. (2015). A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors. Journal of Chemical Physics, 143(4). https://dx.doi.org/10.1063/1.4927397

MLA:

Bauer, Thilo, et al. "A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors." Journal of Chemical Physics 143.4 (2015).

BibTeX: Download