Related papers: Non-equilibrium Green's function formalism for rad…
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is…
Non-equilibrium radiation is addressed theoretically by means of a stochastic lattice-gas model. We consider a resonating transmission line composed of a chain of radiation resonators, each at a local equilibrium, whose boundaries are in…
The electrostatic gating effects on molecular transistors are investigated using the density functional theory (DFT) combined with the nonequilibrium Green's function (NEGF) method. When molecular energy levels are away from the Fermi…
We present the implementation of spinor quantum transport within the non-equilibrium Green's function (NEGF) code TranSIESTA based on Density Functional Theory (DFT). First-principles methods play an essential role in molecular and material…
Enhanced geothermal systems (EGS) involve strongly coupled, advection-dominated flow and heat transfer in fractured porous media. Conventional models typically assume local thermal equilibrium with a single effective fluid temperature or,…
We study the statistics of heat transferred in a given time interval $t_M$, through a finite harmonic chain, called the center $(C)$, which is connected with two heat baths, the left $(L)$ and the right $(R)$, that are maintained at two…
Recently, a class of stationary black hole solutions with non-killing horizon in the asymptotic AdS bulk space was constructed to describe the far from equilibrium heat transport and particle transport from the boundary black holes via…
A spin metal-oxide-semiconductor field-effect-transistor (spin MOSFET), which combines a Schottky-barrier MOSFET with ferromagnetic source and drain contacts, is a promising device for spintronic logic. Previous simulation studies predict…
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…
In this work, we investigate the transport phenomena in compound semiconductor material based buried channel Quantum Well MOSFET with a view to developing a simple and effective model for the device current. Device simulation has been…
While the Landauer viewpoint constitutes a modern basis to understand nanoscale electronic transport and to realize first-principles implementations of the non-equilibrium Green's function (NEGF) formalism, seeking an alternative picture…
We investigate an energy flow in an extended Holstein model describing electron systems coupled to hot-phonons and heat-bath phonons. To analyze the relaxation process after the photo-excitation of electrons, we employ the nonequilibrium…
We investigate the electric and thermoelectric transport coefficients of nanocomposites using the Non-Equilibrium Greens Function (NEGF) method, which can accurately capture the details of geometry and disorder in these structures. We…
The one-particle Green function of a many-electron system is traditionally formulated within the self-energy picture. A different formalism was recently proposed, in which the self-energy is replaced by a dynamical exchange-correlation…
We present an approach to calculate ballistic phonon transport that combines the atomistic Green's function (AGF) method with ab initio results. For the inter atomic potential we use the harmonic approach. The equilibrium positions of the…
Eigenstate thermalization hypothesis (ETH) represents a breakthrough in many-body physics since it allows to link thermalization of physical observables with the applicability of random matrix theory (RMT). Recent years were also extremely…
Nanoscale hot spots forming tens of nanometers beneath the gate in advanced FinFET and HEMT devices drive heat transport into a non-Fourier regime, challenging conventional (Fourier-based) finite-element (FEM) analyses and complicating…
Due to their unique electrical properties, graphene nanoribbons (GNRs) show great promise as the building blocks of novel electronic devices. However, these properties are strongly dependent on the geometry of the edges of the graphene…
We explore in the present work the near-field radiative heat transfer between two semi-infinite parallel nonlocal dielectric planes by means of fluctuational electrodynamics. We use atheory for the nonlocal dielectric permittivityfunction…
The thermal conductance in graphene nanoribbon with a vacancy or silicon point defect (substitution of C by Si atom) is investigated by non-equilibrium Green's function (NEGF) formalism combined with first-principle calculations…