English
Related papers

Related papers: Kohn-Sham equations for nanowires with direct curr…

200 papers

In general coordinate invariant gravity theories whose Lagrangians contain arbitrarily high order derivative fields, the Noether currents for the global translation and for the Nakanishi's IOSp(8|8) choral symmetry containing the BRS…

High Energy Physics - Theory · Physics 2021-07-27 Taichiro Kugo

The analysis of nonlinear interaction of transversal electromagnetic field with quantum collisionless plasma is carried out. Formulas for calculation electric current in quantum collisionless plasma at any temperature are deduced. It has…

Plasma Physics · Physics 2014-03-12 A. V. Latyshev , A. A. Yushkanov

Recently [Phys. Rev. B 91, 125433 (2015)] we derived a general formula for the time-dependent quantum electron current through a molecular junction subject to an arbitrary time-dependent bias within the Wide Band Limit Approximation (WBLA)…

Mesoscale and Nanoscale Physics · Physics 2016-05-04 Michael Ridley , Angus MacKinnon , Lev Kantorovich

As a proof of principle, self-consistent Kohn--Sham calculations are performed with the exact exchange-correlation functional. Finding the exact functional for even one trial density requires solving the interacting Schr\"odinger equation…

Chemical Physics · Physics 2014-07-14 Lucas O. Wagner , Thomas E. Baker , E. M. Stoudenmire , Kieron Burke , Steven R. White

In this work a practical scheme is developed for the first-principles study of time-dependent quantum transport. The basic idea is to combine the transport master-equation with the well-known time-dependent density functional theory. The…

Mesoscale and Nanoscale Physics · Physics 2013-12-16 Xin-Qi Li , YiJing Yan

We calculate the exact Kohn-Sham (KS) scalar and vector potentials that reproduce, within current-density functional theory, the steady-state density and current density corresponding to an electron quasiparticle added to the ground state…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 J. D. Ramsden , R. W. Godby

The universal functional of Hohenberg-Kohn is given as a coupling-constant integral over the density as a functional of the potential. Conditions are derived under which potential-functional approximations are variational. Construction via…

Other Condensed Matter · Physics 2011-06-13 Attila Cangi , Donghyung Lee , Peter Elliott , Kieron Burke , E. K. U. Gross

A molecular wire coupled to two electron reservoirs is investigated within a tight-binding approach including spin and Coulomb interaction. Under the assumption of weak coupling to the electron reservoirs a quantum master equation can be…

Mesoscale and Nanoscale Physics · Physics 2007-08-28 Ulrich Kleinekathoefer , GuangQi Li , Sven Welack , Michael Schreiber

An one-dimensional Kohn-Sham system for spin particles is considered which effectively describes semiconductor {nano}structures and which is investigated at zero temperature. We prove the existence of solutions and derive a priori…

Mathematical Physics · Physics 2009-01-13 Horia Cornean , Kurt Hoke , Hagen Neidhardt , Paul N. Racec , Joachim Rehberg

Electricity plays a special role in our lives and life. Equations of electron dynamics are nearly exact and apply from nuclear particles to stars. These Maxwell equations include a special term the displacement current (of vacuum).…

General Physics · Physics 2017-09-19 Bob Eisenberg , Xavier Oriols , David Ferry

We revisit the problem of forces on atoms under current in nanoscale conductors. We derive and discuss the five principal kinds of force under steady-state conditions from a simple standpoint that - with the help of background literature -…

Mesoscale and Nanoscale Physics · Physics 2014-09-05 Tchavdar N. Todorov , Daniel Dundas , Jing-Tao Lü , Mads Brandbyge , Per Hedegård

We calculate non-perturbatively the inelastic effects on the conductance through a conjugated molecular wire-metal heterojunction, including realistic electron-phonon coupling. We show that at sub-band-gap energies the current is dominated…

Materials Science · Physics 2009-10-31 H. Ness , A. J. Fisher

A nonlinear Schr\"odinger equation with variable coefficients for surface waves on a large-scale steady nonuniform current has been derived without the assumption of a relative smallness of the velocity of the current. This equation can…

Fluid Dynamics · Physics 2017-04-14 V. P. Ruban

Effective mass equations are the simplest models of carrier states in a semiconductor structures that reduce the complexity of a solid-state system to Schr\"odinger- or Pauli-like equations resempling those well known from quantum mechanics…

Mesoscale and Nanoscale Physics · Physics 2018-03-30 Adam Mielnik-Pyszczorski , Krzysztof Gawarecki , Paweł Machnikowski

We present an overview of current-induced effects in nanoscale conductors with emphasis on their description at the atomic level. In particular, we discuss steady-state current fluctuations, current-induced forces, inelastic scattering and…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Neil Bushong , Massimiliano Di Ventra

An accurate description of electron transport at a molecular level requires a precise treatment of quantum effects. These effects play a crucial role in determining the electron transport properties of single molecules, such as…

Quantum Physics · Physics 2020-12-18 Soran Jahangiri , Juan Miguel Arrazola , Alain Delgado

Semiclassical solutions of two-dimensional Schrodinger equation with spin-orbit interaction and smooth potential are considered. In the leading order, spin polarization is in-plane and follows the evolution of the electron momentum for a…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 P. G. Silvestrov , E. G. Mishchenko

Starting from the recently proposed dynamical exchange-correlation field framework, the equation of motion of the diagonal part of the many-electron Green function is derived, from which the spectral function can be obtained. The resulting…

Strongly Correlated Electrons · Physics 2023-03-02 F. Aryasetiawan

The self-consistent quantum-electrostatic (also known as Poisson-Schr\"odinger) problem is notoriously difficult in situations where the density of states varies rapidly with energy. At low temperatures, these fluctuations make the problem…

Mesoscale and Nanoscale Physics · Physics 2019-09-11 P. Armagnat , A. Lacerda-Santos , B. Rossignol , C. Groth , X. Waintal

We derive a general expression for the low-temperature current distribution in a two-dimensional electron gas, subjected to a perpendicular magnetic field and in a confining potential that varies slowly on the scale of the magnetic length…

Condensed Matter · Physics 2009-10-22 Michael R. Geller , Giovanni Vignale