### Abstract

An analytical model is presented for the electronic conductance in a one dimensional atomic chain across an isolated defect. The model system consists of two semi infinite lead atomic chains with the defect atom making the junction between the two leads. The calculation is based on a linear combination of atomic orbitals in the tight-binding approximation, with a single atomic one s-like orbital chosen in the present case. The matching method is used to derive analytical expressions for the scattering cross sections for the reflection and transmission processes across the defect, in the Landauer-Buttiker representation. These analytical results verify the known limits for an infinite atomic chain with no defects. The model can be applied numerically for one dimensional atomic systems supported by appropriate templates. It is also of interest since it would help establish efficient procedures for ensemble averages over a field of impurity configurations in real physical systems.

Original language | English |
---|---|

Article number | 012013 |

Journal | Journal of Physics: Conference Series |

Volume | 289 |

Issue number | 1 |

DOIs | |

Publication status | Published - 2011 |

Externally published | Yes |

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### ASJC Scopus subject areas

- Physics and Astronomy(all)

### Cite this

*Journal of Physics: Conference Series*,

*289*(1), [012013]. https://doi.org/10.1088/1742-6596/289/1/012013

**A simple analytical model for electronic conductance in a one dimensional atomic chain across a defect.** / Khater, Antoine; Szczȩśniak, Dominik.

Research output: Contribution to journal › Article

*Journal of Physics: Conference Series*, vol. 289, no. 1, 012013. https://doi.org/10.1088/1742-6596/289/1/012013

}

TY - JOUR

T1 - A simple analytical model for electronic conductance in a one dimensional atomic chain across a defect

AU - Khater, Antoine

AU - Szczȩśniak, Dominik

PY - 2011

Y1 - 2011

N2 - An analytical model is presented for the electronic conductance in a one dimensional atomic chain across an isolated defect. The model system consists of two semi infinite lead atomic chains with the defect atom making the junction between the two leads. The calculation is based on a linear combination of atomic orbitals in the tight-binding approximation, with a single atomic one s-like orbital chosen in the present case. The matching method is used to derive analytical expressions for the scattering cross sections for the reflection and transmission processes across the defect, in the Landauer-Buttiker representation. These analytical results verify the known limits for an infinite atomic chain with no defects. The model can be applied numerically for one dimensional atomic systems supported by appropriate templates. It is also of interest since it would help establish efficient procedures for ensemble averages over a field of impurity configurations in real physical systems.

AB - An analytical model is presented for the electronic conductance in a one dimensional atomic chain across an isolated defect. The model system consists of two semi infinite lead atomic chains with the defect atom making the junction between the two leads. The calculation is based on a linear combination of atomic orbitals in the tight-binding approximation, with a single atomic one s-like orbital chosen in the present case. The matching method is used to derive analytical expressions for the scattering cross sections for the reflection and transmission processes across the defect, in the Landauer-Buttiker representation. These analytical results verify the known limits for an infinite atomic chain with no defects. The model can be applied numerically for one dimensional atomic systems supported by appropriate templates. It is also of interest since it would help establish efficient procedures for ensemble averages over a field of impurity configurations in real physical systems.

UR - http://www.scopus.com/inward/record.url?scp=79959244479&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=79959244479&partnerID=8YFLogxK

U2 - 10.1088/1742-6596/289/1/012013

DO - 10.1088/1742-6596/289/1/012013

M3 - Article

VL - 289

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

SN - 1742-6588

IS - 1

M1 - 012013

ER -