Bipolar quantum corrections in resolving individual dopants in 'atomistic' device simulation

Roy, G., Brown, A. R., Asenov, A. and Roy, S. (2003) Bipolar quantum corrections in resolving individual dopants in 'atomistic' device simulation. Superlattices and Microstructures, 34(3-6), pp. 327-334. (doi: 10.1016/j.spmi.2004.03.066)

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Abstract

In ‘atomistic’ device simulation the resolving of discrete charges onto a fine-grained simulation mesh can lead to problems. The sharply resolved Coloumb potential can cause simulation artefacts to appear in classical simulation environments using Boltzmann or Fermi–Dirac statistics. Various methods have been proposed in an effort to reduce or eliminate such artefacts as the localisation of mobile carriers by sharply resolved Coulomb wells, however they have met with limited success. In this paper we present an alternative approach for handling discrete charges in drift diffusion ‘atomistic’ simulations by properly introducing the related quantum mechanical effects using the density gradient formalism for both electrons and holes. This eliminates the trapping of mobile charge in heavily doped regions of the device and the related artefacts in the simulated device characteristics.

Item Type:Articles
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Asenov, Professor Asen and Brown, Mr Andrew and Roy, Dr Gareth and Roy, Professor Scott
Authors: Roy, G., Brown, A. R., Asenov, A., and Roy, S.
College/School:College of Science and Engineering > School of Engineering > Electronics and Nanoscale Engineering
College of Science and Engineering > School of Physics and Astronomy
Journal Name:Superlattices and Microstructures
Publisher:Elsevier Ltd.
ISSN:0749-6036
ISSN (Online):1096-3677
Published Online:12 May 2004

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