{
  "id": "0909.1481",
  "version": "v2",
  "published": "2009-09-08T13:00:13.000Z",
  "updated": "2018-11-14T12:55:11.000Z",
  "title": "Monte Carlo simulation of charge transport in disordered organic systems using buffer lattice at boundary",
  "authors": [
    "S. Raj Mohan",
    "Manoranjan P. Singh",
    "M. P. Joshi"
  ],
  "categories": [
    "cond-mat.dis-nn",
    "cond-mat.mtrl-sci"
  ],
  "abstract": "In this article, we present an alternative method for simulating charge transport in disordered organic materials by using a buffer lattice at the boundary. This method does not require careful tracking of carrier's hopping pattern across boundaries. Suitability of this method is established by reproducing the field dependence of mobility, carrier relaxation and carrier diffusion in disordered organic systems obtained by simulating the charge transport for the full length of the systems along the field direction without and boundary condition. The significance of the buffer lattice is emphasized by simulating field dependence of mobility without using a buffer lattice, which results in negative field dependence of mobiltiy (NFDM) at low field regime due to the extra bias the carrier gains from the neglected hops and boundaries along field direction.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2009-09-08T13:00:13.000Z",
      "title": "On periodic boundary condition in Monte Carlo simulation of charge transport in disordered organic systems",
      "abstract": "In this article we present an artifact due to the conventional use of periodic boundary condition (PBC) which produces misleading results on charge transport behavior at low field regime. When simulated using PBC, artifact produces a negative field dependence of mobility (NFDM) at low field regime even when the positional disorder is neglected. The artifact is due to the extra bias the carrier gains due to the neglected hops at boundaries which it encounters perpendicular to the field direction upon implementing the PBC. An alternative approach for simulating the charge transport using PBC without the observed artifact is also proposed.",
      "comment": null,
      "journal": null,
      "doi": null
    },
    {
      "version": "v2",
      "updated": "2018-11-14T12:55:11.000Z"
    }
  ],
  "analyses": {
    "keywords": [
      "periodic boundary condition",
      "charge transport",
      "monte carlo simulation",
      "disordered organic systems",
      "low field regime"
    ],
    "note": {
      "typesetting": "TeX",
      "pages": 0,
      "language": "en",
      "license": "arXiv",
      "status": "editable",
      "adsabs": "2009arXiv0909.1481M"
    }
  }
}