Related papers: Semi-Empirical Model for Nano-Scale Device Simulat…
The explicit expressions for a nonresonant tunneling current mediated by the bridging units of the molecular wire embedded between the metallic electrodes, are derived. The specific regimes of the charge transmission controlled by…
Accurate determination of carrier transport properties in two-dimensional (2D) materials is critical for designing high-performance nano-electronic devices and quantum information platforms. While first-principles calculations effectively…
Charge transfer is a fundamental process that underlies a multitude of phenomena in chemistry and biology. Recent advances in observing and manipulating charge and heat transport at the nanoscale, and recently developed techniques for…
Quantum cascade lasers can be modeled within a hierarchy of different approaches: Standard rate equations for the electron densities in the levels, semiclassical Boltzmann equation for the microscopic distribution functions, and quantum…
In this paper, we present the numerical analysis and simulations of a multi-dimensional memristive device model. Memristive devices and memtransistors based on two-dimensional (2D) materials have demonstrated promising potential for…
Understanding the ultra-fast transport properties of hot charge carriers is of significant importance both fundamentally and technically in applications like solar cells and transistors. However, direct measurement of charge transport at…
Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a carbon nanowire which is connected to ferromagnetic electrodes. The molecule itself is…
Carrier injection into carbon nanotubes and graphene nanoribbons, contacted by a metal coating over an arbitrary length, is studied by various means: Minimal models allow for exact analytic solutions which can be transferred to the original…
We present an empirical model for the nearballistic transport in carbon nanotube (CNT) transistors used as strain sensors. This model describes the intrinsic effect of strain on the transport in CNTs by taking into account phonon scattering…
The Hubbard model describes interacting electrons on a lattice,a situation which occurs in various solid state materials and devices. The aim of the present paper is to briefly discuss this model and its applications in the study of…
Coupling the vibrations of an oscillator to electronic transport is a key building block for nanoelectromechanical systems. They describe many nanoscale electrical components such as molecular junctions. Inspired by recent experimental…
Colloidal nanoparticles developed as interesting objects to establish two- or three-dimensional super-structures with properties not known from conventional bulk materials. Beyond, the properties can be tuned and quantum effects can be…
Inelastic effects in electron transport through nano-sized devices are addressed with a method based on nonequilibrium Green's functions (NEGF) and perturbation theory to infinite order in the electron-vibration coupling. We discuss the…
In this book chapter we provide the definition of "Simulating Nanoscale Heat Transport", broadly regarded as modeling heat conduction beyond Fourier's law. We primarely focus on incoherent transport, which is dominated by scattering between…
The transport of low-energy electrons through the coating of a radiosensitizing metallic nanoparticle under fast ion irradiation is analyzed theoretically and numerically. As a case study, we consider a poly(ethylene glycol)-coated gold…
We present a real-space method for first-principles nano-scale electronic transport calculations. We use the non-equilibrium Green's function method with density functional theory and implement absorbing boundary conditions (ABCs, also…
A summary is given of a talk on the physics and technology of hybrid metallic nanostructures, with a view to metallic nanoelectronics. In the beginning of the talk it was noted that the majority of the presentations at the conference were…
We study electronic transport through a quantum point contact, where the interaction between the electrons is approximated by a contact potential. Our numerical approach is based on the non-equilibrium Green function technique which is…
We calculate the exchange coupling J between electrons in a double-well potential in a two-dimensional semiconductor environment within the Heitler-London (HL) approach. Two functional forms are considered for the double-well potential. We…
We use the Newns-Anderson Hamiltonian to describe many-body electronic processes that occur when hyperthermal alkali atoms scatter off metallic surfaces. Following Brako and Newns, we expand the electronic many-body wavefunction in the…