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Recursive approach to study transport properties of atomic wire
Authors:S. Datta  T. Saha-Dasgupta  A. Mookerjee
Affiliation:(1) Department of Materials Science, S. N. Bose National Centre for Basic Sciences, Kolkata, 700 098, India;(2) Advanced Materials Research Unit, S. N. Bose National Centre for Basic Sciences, Kolkata, 700 098, India;(3) Unit for Nanoscience and Technology, S. N. Bose National Centre for Basic Sciences, Kolkata, 700 098, India
Abstract:
In this study, we propose a recursive approach to study the transport properties of atomic wires. It is based upon a real-space block-recursion technique with Landauer's formula being used to express the conductance as a scattering problem. To illustrate the method, we have applied it on a model system described by a single band tight-binding Hamiltonian. Results of our calculation therefore may be compared with the reported results on Na-atom wire. Upon tuning the tight-binding parameters, we can distinctly identify the controlling parameters responsible to decide the width as well as the phase of odd-even oscillations in the conductance.
Keywords:PACS 73.63.-b Electronic transport in nanoscale materials and structures  71.15.-m Methods of electronic structure calculations  85.35.-p Nanoelectronic devices
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