Nonequilibrium green functions i joachim keller literature. It is clear that quantitative simulation tools for this new. Pdf ballistic calculation of nonequilibrium greens. For modeling the transport of carriers in nanoscale devices, a green function formalism is the most accurate approach. The nonequilibrium green s function method for nanoscale device simulation mahdi pourfath auth. However, our simulation on nanoscale device shows excess noise at high current levels, but not socalled full shot noise because of much phasebreaking. Nonequilibrium greens function negf simulation of metallic carbon nanotubes including vacancy defects.
Received 24 july 2000 the nonequilibrium greens function negf formalism provides a sound conceptual ba. Open boundary conditions and oxide tunneling are treated on an equal footing. Paulsson, non equilibrium greens functions for dummies. The simulation uses the nonequilibrium greens function negf approach to calculate the. The nonequilibrium greens function negf formalism provides a sound conceptual basis for the devlopment of atomiclevel quantum mechanical simulators that. Thus it motivates the use of more realistic full band structures in quantum transport simulations. Basics of nonequilibrium electrodynamics on the nano scale c. Basics of nonequilibrium electrodynamics on the nanoscale. The nonequilibrium greens function method for nanoscale device simulation computational microelectronics.
A ballistic calculation of a full quantum mechanical system is presented to study 2d nanoscale devices. Read the nonequilibrium greens function method for nanoscale device simulation by mahdi pourfath available from rakuten kobo. Cuniberti 1 institute for theoretical physics, university of regensburg, d93040 regensburg, germany. Same global poissons equation solver used in both dd and qbt regimes. The method is implemented into our recently developed computer package opedevs to investigate transport properties of electrons in nanoscale devices and lowdimensional materials. Simulations of semiconductor laser using nonequilibrium. In this study we perform the analysis of multiband quantum transport in nanoscale devices based on a nonequilibrium greens function negf formalism coupled selfconsistently with the poisson equation. Abstract the nonequilibrium greens function negf formalism provides a sound conceptual basis for the devlopment of atomiclevel quantum mechanical simulators that will be needed for nanoscale devices of the future. Seamless integration of qbt and dd in the apsys software.
Efficient solution algorithm of nonequilibrium greens functions in atomistic tight binding representation. Pourfath the nonequilibrium greens function method. The nonequilibrium greens function method for nanoscale. The basic approach developed in the early 1970s has become increasingly popular during the last 10 years. Received 24 july 2000 the nonequilibrium greens function negf formalism provides a sound conceptual basis for the devlopment of atomiclevel quantum mechanical simulators that will be needed.
The nonequilibrium greens function method for nanoscale device simulation computational microelectronics pourfath, mahdi on. The nonequilibrium greens function method for semiconductor light emitting diode simulation zhelio andreev1, akshay shedbalkar1, and bernd witzigmann1 1 university of kassel, dept. Benchmark density functional theory calculations for. Landauerlike theory, kinetic theory and greenkubo linear response theory.
The nonequilibrium green s function method for nanoscale device simulation. Acoustic phonon scattering is included, causing transport to deviate from ballistic in a realistic. The negf method has been implemented into many computer packages with different sophisticated. The dyson equation central equation of this method is derived and written in a basis suitable for numerical implementation. Introduction to the one particle negf equations, condmat0210519 2002. Application of a nonequilibrium greens function method. Homeengineering technologyelectronics the nonequilibrium greens function method for nanoscale device simulation. A novel method of simulating edgeemitting semiconductor lasers in a nonequilibrium steadystate is developed.
In this paper, we present a new method to calculate the steadystate noise at zero fre. Distributed nonequilibrium greens function algorithms. Buy the nonequilibrium greens function method for nanoscale device simulation computational microelectronics 2014 by mahdi pourfath isbn. We report a density functional nonequilibrium greens function dftnegf study of electrical transport and switching behavior in a single molecular conductor consisting of a 1,4benzenedithiolate bdt molecular wire with one sulfur end group bonded to an au1 1 1 substrate and the other to a monatomic auscanning tunneling microscope stm tip. We present an overview of electronic device modeling using nonequilibrium green function techniques. Due to the complexity of the formalism, one should have a deep understanding of the underlying principles and use smart approximations and numerical methods for solving the kinetic equations at a reasonable computational time. Green function techniques in the treatment of quantum transport at the molecular scale d. This will the basis for the following discussion of nonequilibrium green functions. The nonequilibrium greens function negf formalism 1 provides a very general. Computational microelectronics editor siegfried selberherr technical university vienna. Pdf nonequilibrium greens function method for modeling. The keldyshschwinger contour is a convenient bookkeeping device which allows you to derive simple expressions within nonequilibrium green function theory in compact form. Nonequilibrium greens functions negf and their application to quantum conductance in nanojunctions the lectures are meant for postgraduate and good 4th year undergraduate students, although they could also be useful to anybody wishing to familiarise herhimself with negf and their.
Distributed nonequilibrium greens function algorithms for the simulation of nanoelectronic devices with scattering stephen cauley, mathieu luisier, venkataramanan balakrishnan, gerhard klimeck, and. The dyson equation central equation of this method is derived and written in. The steady state equation for the greens function is defined as 3. A brief introduction to nonequilibrium green functions the keldyshschwinger timecontour. Nonequilibrium greens function method for modeling quantum electron transport in nano scale devices with anisotropic multiband structure. The rise in popularity was driven first by the experimental investigations of mesoscopic physics made possible by high quality semiconductor heterostructures grown by. Density functional nonequilibrium greens function dft. Green function techniques in the treatment of quantum. Benchmark density functional theory calculations for nanoscale conductance m. Application of a nonequilibrium greens function method to electrical transport through single molecularassembled metallic nanoparticles.
Device divided into classical driftdiffusion dd regime mainly in vicinity of contacts and quantum ballistic transport qbt regime. Everyday low prices and free delivery on eligible orders. Materials research society symposium proceedings, vol. For modeling the transport of carriers in nanoscale devices, a greenfunction formalism is the most accurate approach. This is the most accurate full quantum model yet applied to 2d device simulation. In this thesis we showed that nonequilibrium greens function perturbation theory negf is really the overarching perturbative transport theory. Due to the complexity of the formalism, one should have a deep understanding of the underlying principles and use smart approximations and numerical methods for solving the kinetic. The simulation is based on a nonequilibrium greens function negf method. The nonequilibrium greens function method for nanoscale device simulation free chm, pdf ebooks download. Jauho, quantum kinetics in transport and optics of semiconductors j. This is shown in great detail by using negf as a starting point and developing in 3 directions to obtain the usual transportrelated expressions.
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