Nonlinear electronic transport in nanoscopic devices: nonequilibrium Green's functions versus scattering approach

DOI10.1140/EPJB/E2013-31089-1zbMATH Open1515.82095arXiv0907.2073OpenAlexW2011238614MaRDI QIDQ6135217FDOQ6135217

Caio H. Lewenkopf, Alexis R. Hernández

Publication date: 26 July 2023

Published in: The European Physical Journal B. Condensed Matter and Complex Systems (Search for Journal in Brave)

Abstract: We study the nonlinear elastic quantum electronic transport properties of nanoscopic devices using the Nonequilibrium Green's function (NEGF) method. The Green's function method allows us to expand the $I-V$ characteristics of a given device to arbitrary powers of the applied voltages. By doing so, we are able to relate the NEGF method to the scattering approach, showing their similarities and differences and calculate the conductance coefficients to arbitrary order. We demonstrate that the electronic current given by NEGF is gauge invariant to all orders in powers of $V$, and discuss the requirements for gauge invariance in the standard Density Functional Theory (DFT) implementations in molecular electronics. We also analyze the symmetries of the nonlinear conductance coefficients with respect to a magnetic field inversion and the violation of the Onsager reciprocity relations with increasing source-drain bias.

Full work available at URL: https://arxiv.org/abs/0907.2073

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zbMATH Keywords

mesoscopic and nanoscale systems

Mathematics Subject Classification ID

Quantum dynamics and nonequilibrium statistical mechanics (general) (82C10)

Cites Work

• Reciprocal Relations in Irreversible Processes. II.
• A fluctuation theorem for currents and non-linear response coefficients

Cited In (5)

• Gauge-invariant and current-continuous microscopic ac quantum transport theory
• Scattering basis representation in ballistic transport simulations of nanowire transistors
• Nonequilibrium Green's functions in the atomic representation and the problem of quantum transport of electrons through systems with internal degrees of freedom
• RPA APPROACH TO NON-LINEAR TRANSPORT IN QUANTUM DOTS
• Boundary treatments in non-equilibrium Green's function (NEGF) methods for quantum transport in nano-MOSFETs

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