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Electronic transport properties through some model quantum systems are re-visited. A simple tight-binding framework is given to describe the systems where all numerical calculations are made using the Green's function formalism. First, we…

Mesoscale and Nanoscale Physics · Physics 2015-03-19 Santanu K. Maiti

We explore multi-terminal quantum transport through a benzene molecule threaded by an Aharonov-Bohm flux $\phi$. A simple tight-binding model is used to describe the system and all the calculations are done based on the Green's function…

Mesoscale and Nanoscale Physics · Physics 2010-06-22 Santanu K. Maiti

A local-orbital based ab initio approach to obtain the Green function for large heterogeneous systems is developed. First a Green function formalism is introduced based on exact diagonalization. Then the self energy is constructed from an…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 M. Albrecht , A. Schnurpfeil , G. Cuniberti

We investigate the conformation-dependent electron transfer in a biphenyl molecule within a simple tight-binding framework. The overall junction current and circular currents in two benzene rings driven by applied bias voltage are…

Mesoscale and Nanoscale Physics · Physics 2013-07-02 Santanu K. Maiti

A new scheme has been proposed to solve the B.E. condenstates in terms of Green's function approach. It has been shown that the radial wave function of two interacting atoms, moving in a common harmonic oscillator potential modified by an…

Quantum Physics · Physics 2007-05-23 Mahendra Sinha Roy

We explore electron transport properties for the model of benzene-1, 4-dithiolate (BDT) molecule and for some other geometric models of benzene molecule attached to two semi-infinite one-dimensional metallic electrodes using the Green's…

Mesoscale and Nanoscale Physics · Physics 2010-04-13 Santanu K. Maiti

The effect of dephasing on electron transport through a benzene molecule is carefully examined using a phenomenological model introduced by B\"{u}ttiker. Within a tight-binding framework all the calculations are performed based on the…

Mesoscale and Nanoscale Physics · Physics 2011-04-14 Moumita Dey , Santanu K. Maiti , S. N. karmakar

We describe how to apply the recursive Green's function method to the computation of electronic transport properties of graphene sheets and nanoribbons in the linear response regime. This method allows for an amenable inclusion of several…

Mesoscale and Nanoscale Physics · Physics 2013-06-18 Caio H. Lewenkopf , Eduardo R. Mucciolo

We do parametric calculations to elucidate multi-terminal electron transport properties through a molecular system where a single phenalenyl molecule is attached to semi-infinite one-dimensional metallic leads. A formalism based on the…

Mesoscale and Nanoscale Physics · Physics 2010-05-25 Paramita Dutta , Santanu K. Maiti , S. N. Karmakar

Electron transport properties of a non-interacting mesoscopic ring sandwiched between two metallic electrodes are investigated by the use of Green's function formalism. We introduce a parametric approach based on the tight-binding model to…

Mesoscale and Nanoscale Physics · Physics 2009-11-06 Santanu K. Maiti

Electronic transport characteristics through a single phenalenyl molecule sandwiched between two metallic electrodes are investigated by the use of Green's function technique. A parametric approach, based on the tight-binding model, is used…

Mesoscale and Nanoscale Physics · Physics 2009-11-06 Santanu K. Maiti

Electron transport characteristics are investigated through some molecular chains attached to two non-superconducting electrodes by the use of Green's function method. Here we do parametric calculations based on the tight-binding…

Mesoscale and Nanoscale Physics · Physics 2009-07-31 Santanu K. Maiti

On the basis of the tight-binding formalism and Green function technique we obtain all the Green functions matrix elements for a biased chain with a linear variation of the electron on-site energy. Their dependence on the system parameters…

Mesoscale and Nanoscale Physics · Physics 2021-11-18 Lyuba Malysheva

We define a lattice model for rock, absorbers, and gas that makes it possible to examine the flow of gas to a complicated absorbing boundary over long periods of time. The motivation is to deduce the geometry of the boundary from the time…

Soft Condensed Matter · Physics 2018-04-04 M. Marder , Behzad Eftekhari , Tadeusz W Patzek

We discuss the general form of the transmission spectrum through a molec- ular junction in terms of the Green function of the isolated molecule. By introducing a tight binding method, we are able to translate the Green func- tion properties…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Daniel A. Lovey , Rodolfo H. Romero

Quantum transport properties through single polycyclic hydrocarbon molecules attached to two metallic electrodes are studied by the use of Green's function technique. A parametric approach based on the tight-binding model is introduced to…

Mesoscale and Nanoscale Physics · Physics 2009-12-20 Santanu K. Maiti

We present a scheme for calculating coherent electron transport in atomic-scale contacts. The method combines a formally exact Green's function formalism with a mean-field description of the electronic structure based on the Kohn-Sham…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 K. S. Thygesen , K. W. Jacobsen

Electronic transport is theoretically investigated in laterally confined semiconductor superlattices using the formalism of non-equilibrium Green's functions. The transport properties are calculated for nanowire superlattices of varying…

Mesoscale and Nanoscale Physics · Physics 2014-04-25 Thomas Grange

The experimentally obtained (Venkataraman {\em et al}. \cite{latha}) cosine squared relation of electronic conductance in a biphenyl molecule is verified theoretically within a tight-binding framework. Using Green's function formalism we…

Mesoscale and Nanoscale Physics · Physics 2014-04-25 Santanu K. Maiti

We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…

Mesoscale and Nanoscale Physics · Physics 2017-06-28 Troels Markussen , Mattias Palsgaard , Daniele Stradi , Tue Gunst , Mads Brandbyge , Kurt Stokbro
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