Related papers: An atomistic quantum transport solver with dephasi…
Simulating charge and energy transfer in extended molecular networks requires an effective model to include the environment because it significantly affects the quantum dynamics. A prototypical effect known as Environment-Assisted Quantum…
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…
Electrical conduction through a two-terminal molecular device is studied using non-equilibrium Green's functions (NEGF) formalism. Such junction is made of a short linear wire which is connected to the metallic electrodes. Molecule itself…
Modeling charge transport in DNA is essential to understand and control the electrical properties and develop DNA-based nanoelectronics. DNA is a fluctuating molecule that exists in a solvent environment, which makes the electron…
Time-dependent quantum transport for graphene nanoribbons (GNR) are calculated by the hierarchical equation of motion (HEOM) method based on the nonequilibrium Green's function (NEGF) theory (Xie et.al, J. Chem. Phys. 137, 044113, 2012). In…
The entanglement dynamics of an anisotropic two-qubit Heisenberg XYZ system in the presence of intrinsic decoherence is studied. The usefulness of such system for performance of the quantum teleportation protocol ${\cal T}_0$ and…
Using non-equilibrium Green's functions combined with many-body perturbation theory, we have calculated steady-state densities and currents through short interacting chains subject to a finite electric bias. By using a steady-state…
A new compact modeling approach is presented which describes the full current-voltage (I-V) characteristic of high-performance (aggressively scaled-down) tunneling field-effect-transistors (TFETs) based on homojunction direct-bandgap…
Measurements of current-voltage characteristics from ideal carbon nanotube (CNT) field electron emitters of small apex radius have shown that these emitters can exhibit a linear Fowler-Nordheim (FN) plot [e.g., Dean and Chalamala, Appl.…
Recently it has been experimentally shown that a graphene nanoribbon (GNR) can be obtained by unzipping a carbon nanotube (CNT). This makes it possible to fabricate all-carbon heterostructures that have a unique interface between a CNT and…
Carbon nanotubes (CNT) have a very large application potential in the rapid developing field of molecular electronics. Infinite single-wall metallic CNTs have theoretically a conductance of 4e2/h because of the two electronic bands crossing…
In the last twenty years there has been significant progress in our understanding of quantum transport far from equilibrium and a conceptual framework has emerged through a combination of the Landauer approach with the non-equilibrium Green…
Negative differential resistivity (NDR) in a (3+1)-dimensional quantum system of strongly correlated charge carriers is theoretically reproduced by using the AdS/CFT correspondence. Our system is microscopically defined, and the analysis…
We study the transport properties and the spectral statistics of a one-dimensional closed quantum system of interacting spinless fermions in a quasiperiodic potential which produces a single particle mobility edge in the absence of…
The use of ensemble Monte Carlo (EMC) methods for the simulation of transport in semiconductor devices has become extensive over the past few decades. This method allows for simulation utilizing particles while addressing the full physics…
Using the nonequilibrium Green's function (NEGF) formalism, we propose a microscopic theory for near-field heat transfer between charged metal plates focusing on the Coulomb interactions. Tight-binding models for the electrons are coupled…
The way in which energy is transported through an interacting system governs fundamental properties in many areas of physics, chemistry, and biology. Remarkably, environmental noise can enhance the transport, an effect known as…
We investigate the trade-offs between accuracy and efficiency for several flavors of the dissipative mode-space NEGF algorithm with the self-consistent Born approximation for DFT Hamiltonians. Using these models, we then demonstrate the…
In this work, the transport of tunnel field-effect transistor (TFET) based on vertically stacked hereto-structures from 2D transition metal dichalcogenide (TMD) materials is investigated by atomistic quantum transport simulations. WTe2-MoS2…
We present a rigorous and computationally efficient method to do a parameter-free analysis of molecular wires connected to contacts. The self-consistent field approach is coupled with Non-equilibrium Green's Function (NEGF) formalism to…