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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

We present a simple model of electrical transport through a metal-molecule-metal nanojunction that includes charging effects as well as aspects of the electronic structure of the molecule. The interplay of a large charging energy and an…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Matthias H. Hettler , Herbert Schoeller , Wolfgang Wenzel

We give a further step in the quantum mechanical description of engineered atomic spin structures by deriving a master equation of the Redfield type that governs the dynamics of the atomic spin density matrix. By generalizing this approach…

Mesoscale and Nanoscale Physics · Physics 2016-12-28 Alexey M. Shakirov , Yulia E. Shchadilova , Alexey N. Rubtsov , Pedro Ribeiro

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

Inelastic effects in electron transport through nano-sized devices are addressed with a method based on nonequilibrium Green's functions (NEGF) and perturbation theory to infinite order in the electron-vibration coupling. We discuss the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Thomas Frederiksen , Mads Brandbyge , Nicolas Lorente , Antti-Pekka Jauho

We derive equations of motion for higher order density response functions using the theory of thermodynamic Green's functions. We also derive expressions for the higher order generalized dielectric functions and polarization functions.…

Strongly Correlated Electrons · Physics 2024-10-04 Jan Vorberger , Tobias Dornheim , Maximilian P. Böhme , Zhandos Moldabekov , Panagiotis Tolias

We present a general theoretical formulation, based on nonequilibrium Green's functions, for nonlinear DC transport in multi-probe mesoscopic conductors. The theory is gauge invariant and is useful for the predictions of current-voltage…

Condensed Matter · Physics 2009-10-31 Baigeng Wang , Jian Wang , Hong Guo

We investigate transport properties of gate-all-around Si nanowires using non-equilibrium Green's function technique. By taking into account of the ionized impurity scattering we calculate Green's functions self-consistently and examine the…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 J. H. OH , D. Ahn , Y. S. Yu , S. W. Hwang

A density matrix theory of electron transport and optical gain in quantum cascade lasers in an external magnetic field is formulated. Starting from the general quantum kinetic treatment, we describe the intra- and inter-period electron…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Ivana Savic , Nenad Vukmirovic , Zoran Ikonic , Dragan Indjin , Robert W. Kelsall , Paul Harrison , Vitomir Milanovic

We study the dynamical transport in weakly coupled superlattices in the presence of intense radiation in the THz regime. We derive a general model for the time dependent tunneling current within the Keldysh nonequilibrium-Green-function…

Condensed Matter · Physics 2009-11-07 Rosa Lopez , David Sanchez , Gloria Platero

We study inelastic electron tunneling through a molecular junction using the non-equilibrium Green function (NEGF) formalism. The effect of the mutual influence between the phonon and the electron subsystems on the electron tunneling…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Michael Galperin , Mark A. Ratner , Abraham Nitzan

We study the electronic and transport properties of heterostructures formed by armchair graphene nanoribbons with intersections of finite length. We describe the system by a tight-binding model and calculate the density of states and the…

Mesoscale and Nanoscale Physics · Physics 2007-11-19 L. Rosales , P. Orellana , Z. Barticevic , M. Pacheco

In the present work, we theoretically study the nonlinear regime of charge transport through a quantum dot coupled to the source and drain reservoirs. The investigation is carried out using a nonequilibrium Green's functions formalism…

Mesoscale and Nanoscale Physics · Physics 2015-12-01 Natalya A. Zimbovskaya

We study the heat transport due to phonons in nanomechanical structures using a phase space representation of non-equilibrium Green's functions. This representation accounts for the atomic degrees of freedom making it particularly suited…

Mesoscale and Nanoscale Physics · Physics 2017-10-10 Marcone I. Sena-Junior , Leandro R. F. Lima , Caio H. Lewenkopf

We present an ab initio inelastic quantum transport approach based on maximally localized Wannier functions. Electronic-structure properties are calculated with density-functional theory in a planewave basis, and electron-vibration coupling…

Mesoscale and Nanoscale Physics · Physics 2013-06-12 Sejoong Kim , Nicola Marzari

Electronic structure and transport characteristics of coupled CdS and ZnSe quantum dots are studied using density functional theory and non equilibrium Greens function method respectively. Our investigations show that in these novel coupled…

Mesoscale and Nanoscale Physics · Physics 2021-08-03 Simon Liebing , Torsten Hahn , Jens Kortus , Bidisa Das , Arup Chakraborty , Indra Dasgupta

Electron transport properties through single conjugated molecules sandwiched between two non-superconducting electrodes are studied by the use of Green's function technique. Based on the tight-binding model, we do parametric calculations to…

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

The transport and fluctuation properties of organic molecules ordered parallel between two Au contact leads are investigated by the method of surface Green function. From first-principles simulation the relevant hopping parameters are…

Mesoscale and Nanoscale Physics · Physics 2009-04-03 K. Morawetz S. Gemming , R. Luschtinetz , T. Kunze , P. Lipavský , L. M. Eng , G. Seifert , V. Pankoke , P. Milde

Resonant tunneling through a quantum dot coupled to superconducting reservoirs in the presence of time-dependent external voltage has been studied. A general formula of the current is derived based on the nonequilibrium Green's function…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Sam Young Cho , Kicheon Kang , Chang-Mo Ryu

We implement a bottom-up multiscale approach for the modeling of defect localization in $C_{6n^2}H_{6n}$ islands, i.e. graphene quantum dots with a hexagonal symmetry, by means of density functional and semiempirical approaches. Using the…

Mesoscale and Nanoscale Physics · Physics 2010-02-17 I. Deretzis , G. Forte , A. Grassi , A. La Magna , G. Piccitto , R. Pucci