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We discuss an extension of our earlier work on the time-dependent Landauer--B\"uttiker formalism for noninteracting electronic transport. The formalism can without complication be extended to superconducting central regions since the…

Mesoscale and Nanoscale Physics · Physics 2016-04-15 Riku Tuovinen , Robert van Leeuwen , Enrico Perfetto , Gianluca Stefanucci

Gauge invariance is a fundamental principle that must be preserved in quantum transport. However, when a complex potential is incorporated into the Hamiltonian, we find that the current described by the well-established…

Mesoscale and Nanoscale Physics · Physics 2024-09-23 Miaomiao Wei , Bin Wang , Jian Wang

While the vast majority of calculations reported on molecular conductance have been based on the static non-equilibrium Green's function formalism combined with density functional theory, in recent years a few time-depedent approaches to…

We present an efficient numerical approach for treating ballistic quantum transport across devices described by tight binding (TB) Hamiltonians designated to systems with localized potential defects. The method is based on the wave function…

Mesoscale and Nanoscale Physics · Physics 2016-09-08 K. Kolasiński , A. Mreńca-Kolasińska , B. Szafran

We present the relation between the Floquet scattering matrix and the non-equilibrium Green's function formalisms to transport theory in noninteracting electronic systems in contact to reservoirs and driven by time-periodic fields. We…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Liliana Arrachea , Michael Moskalets

We present a time-linear scaling method to simulate open and correlated quantum systems out of equilibrium. The method inherits from many-body perturbation theory the possibility to choose selectively the most relevant scattering processes…

Mesoscale and Nanoscale Physics · Physics 2025-06-10 R. Tuovinen , Y. Pavlyukh , E. Perfetto , G. Stefanucci

We formulate a semiclassical theory for electron transport in open quantum systems with electron-phonon interactions adequate for situations when the system's phonon dynamics is comparable with the electron transport timescale. Starting…

Mesoscale and Nanoscale Physics · Physics 2025-08-26 Maicol A. Ochoa

We present a generalized dynamical mean-field approach for the nonequilibrium physics of a strongly correlated system in the presence of a time-dependent external field. The Keldysh Green's function formalism is used to study the…

Strongly Correlated Electrons · Physics 2007-05-23 P. Schmidt , H. Monien

We calculate the spin transport of hydrogenated graphene using the Landauer-B\"uttiker formalism with a spin-dependent tight-binding Hamiltonian. The advantages of using this method is that it simultaneously gives information on sheet…

Mesoscale and Nanoscale Physics · Physics 2015-11-18 M. R. Thomsen , M. Ervasti , A. Harju , T. G. Pedersen

We demonstrate an efficient nonequilibrium Green's function transport calculation procedure based on the real-space finite-difference method. The direct inversion of matrices for obtaining the self-energy terms of electrodes is…

Materials Science · Physics 2024-01-09 Tomoya Ono , Yoshiyuki Egami , Kikuji Hirose

We present a scattering approach for the study of the transport and thermodynamics of quantum systems strongly coupled to their thermal environment(s). This formalism recovers the standard non-equilibrium Green's function expressions for…

Statistical Mechanics · Physics 2020-07-15 Alexander Semenov , Abraham Nitzan

We present a multiprobe recursive Green's function method to compute the transport properties of mesoscopic systems using the Landauer-B\"uttiker approach. By introducing an adaptive partition scheme, we map the multiprobe problem into the…

Mesoscale and Nanoscale Physics · Physics 2018-04-11 Leandro R. F. Lima , Amintor Dusko , Caio Lewenkopf

The Landauer-B\"uttiker formalism provides a simple and insightful way for investigating many phenomena in mesoscopic physics. By this approach we derive general formulas for the energy properties and apply them to the basic setups. Of…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 Danilo Sergi

With recent developments in spintronics, it is now possible to envision spin-driven devices with magnets and interconnects that require a new class of transport models using generalized Fermi functions and currents, each with four…

Mesoscale and Nanoscale Physics · Physics 2019-08-27 Kerem Y. Camsari , Samiran Ganguly , Deepanjan Datta , Supriyo Datta

The interaction with time-dependent external fields, especially the interplay between time-dependent driving and quantum correlations, changes the familiar picture of electron transport through nanoscale systems. Although the exact solution…

Mesoscale and Nanoscale Physics · Physics 2020-02-13 Thomas D. Honeychurch , Daniel S. Kosov

We show that by integrating out the electric field and incorporating proper boundary conditions, a semiclassical Boltzmann equation can describe electron transport properties, continuously from the diffusive to ballistic regimes. General…

Mesoscale and Nanoscale Physics · Physics 2016-08-25 H. Geng , W. Y. Deng , Y. J. Ren , L. Sheng , D. Y. Xing

Scattering theory is a standard tool for the description of transport phenomena in mesoscopic systems. Here, we provide a detailed derivation of this method for nano-scale conductors that are driven by oscillating electric or magnetic…

Statistical Mechanics · Physics 2020-06-01 Kay Brandner

Based on the nonequilibrium Green's function technique, a unified theory is developed that covers quantum transport and quantum diffusion in bulk semiconductors on the same footing. This approach, which is applicable to transport via…

Statistical Mechanics · Physics 2015-05-13 P. Kleinert

We propose a time-dependent approach to investigate the motion of electrons in quantum pump device configurations. The occupied one-particle states are propagated in real time and used to calculate the local electron density and current. An…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 G. Stefanucci , S. Kurth , A. Rubio , E. K. U. Gross

To explore whether the density-functional theory non-equilibrium Green's function formalism (DFT-NEGF) provides a rigorous framework for quantum transport, we carried out time-dependent density functional theory (TDDFT) calculations of the…

Materials Science · Physics 2011-07-01 ChiYung Yam , Xiao Zheng , GuanHua Chen , Yong Wang , Thomas Frauenheim , Thomas A. Niehaus
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