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In the present review we make a comprehensive analysis of our understanding on electron transport in mesoscopic single-channel rings and multi-channel cylinders within a tight-binding framework. A spectacular mesoscopic phenomenon where a…

Mesoscale and Nanoscale Physics · Physics 2013-05-22 Santanu K. Maiti

Building on the many existing algorithms for calculating the DC transport properties of quantum tight-binding models, we develop a systematic approach that expresses finite frequency observables in terms of the stationary Green's function…

Mesoscale and Nanoscale Physics · Physics 2013-02-15 Oleksii Shevtsov , Xavier Waintal

Impressive advances in the field of molecular spintronics allow one to study electron transport through individual magnetic molecules embedded between metallic leads in the purely quantum regime of single electron tunneling. Besides…

Strongly Correlated Electrons · Physics 2019-09-05 Alessandro Chiesa , Emilio Macaluso , Paolo Santini , Stefano Carretta , Eva Pavarini

We have modeled transport properties of nanostructures using the Green's function method within the framework of the density-functional theory. The scheme is computationally demanding so that numerical methods have to be chosen carefully. A…

Computational Physics · Physics 2007-05-23 Paula Havu , Ville Havu , Martti J. Puska , Mikko H. Hakala , Adam S. Foster , Risto M. Nieminen

We analyze the effect of a gate on the conductance of molecules by separately evaluating the gate-induced polarization and the potential shift of the molecule relative to the leads. The calculations use ab initio density functional theory…

Materials Science · Physics 2007-05-23 San-Huang Ke , Harold U. Baranger , Weitao Yang

Electrical conduction through a two-terminal molecular device is studied using non-equilibrium Green's functions (NEGF) formalism. Such junction is made of a short linear wire which is connected to the metallic electrodes. Molecule itself…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Kamil Walczak

Electron transport is theoretically investigated in a molecular device made of anthracene molecule attached to the electrodes by thiol end groups in two different configurations (para and meta, respectively). Molecular system is described…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Kamil Walczak

We study electron transport in polycyclic hydrocarbon molecules attached to two semi-infinite one-dimensional metallic electrodes by the use of Green's function formalism. Parametric calculations based on the tight-binding framework are…

Mesoscale and Nanoscale Physics · Physics 2009-11-06 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

We discuss the steady-state electronic transport in solid-state and molecular devices in the quantum regime. The decimation technique allows a comprehensive description of the electronic structure. Such a method is used, in conjunction with…

Mesoscale and Nanoscale Physics · Physics 2008-03-26 Horacio M. Pastawski , Ernesto Medina

Electron transport properties of a biphenyl molecule are studied based on the Green's function formalism. The molecule is sandwiched between two metallic electrodes, where each benzene ring is threaded by a magnetic flux $\phi$. The results…

Mesoscale and Nanoscale Physics · Physics 2009-09-15 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

Quantum transport for different models of isomer molecules attached to two semi-infinite leads is studied on the basis of Green's function technique. Electronic transport properties are significantly affected by (a) the relative position of…

Mesoscale and Nanoscale Physics · Physics 2009-09-15 Santanu K. Maiti

One of the fundamental properties of semiconductors is their ability to support highly tunable electric currents in the presence of electric fields or carrier concentration gradients. These properties are described by transport coefficients…

Materials Science · Physics 2020-02-19 Samuel Poncé , Wenbin Li , Sven Reichardt , Feliciano Giustino

As the dimensions of a conductor approach the nano-scale, quantum effects will begin to dominate its behavior. This entails the exciting possibility of controlling the conductance of a device by direct manipulation of the electron wave…

After the discovery of GMR by Fert and Gr\"unberg, electronics had a breakthrough with the birth of a new branch called spintronics. This discipline, while still young, exploits the spin of electrons. Most quantum devices exploiting this…

Mesoscale and Nanoscale Physics · Physics 2015-01-27 Yann Claveau

We numerically investigate the electronic transport properties between two mesoscopic graphene disks with a twist by employing the density functional theory coupled with non-equilibrium Green's function technique. By attaching two graphene…

Mesoscale and Nanoscale Physics · Physics 2020-07-01 Yulei Han , Yafei Ren , Xinlong Dong , Junjie Zeng , Wei Ren , Zhenhua Qiao

We investigate the quantum transport dynamics of electrons in a multi-path Aharonov-Bohm interferometer comprising several parallel graphene nanoribbons. At low magnetic field strengths, the conductance displays a complex oscillatory…

Mesoscale and Nanoscale Physics · Physics 2023-09-13 Cynthia I. Osuala , Zitao Tang , Stefan Strauf , Eui-Hyeok Yang , Chunlei Qu

We investigate electron transport through a mono-atomic wire which is tunnel coupled to two electrodes and also to the underlying substrate. The setup is modeled by a tight-binding Hamiltonian and can be realized with a scanning tunnel…

Mesoscale and Nanoscale Physics · Physics 2010-11-25 Tomasz Kwapinski , Sigmund Kohler , Peter Hanggi

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