Related papers: Nonequilibrium Green's Function Formalism Applicab…
We use the non-equilibrium Green's function formalism along with a self-consistent Hartree-Fock approximation to numerically study the effects of a single impurity and interactions between the electrons (with and without spin) on the…
The Non-equilibrium Green's function (NEGF) formalism is a particularly powerful method to simulate the quantum transport properties of nanoscale devices such as transistors, photo-diodes, or memory cells, in the ballistic limit of…
Transport and gain properties of a resonant-phonon terahertz quantum cascade laser are calculated using nonequilibrium Green's functions. Impurity scattering is shown to be responsible for contrasting nonlinear effects in the transport and…
We drive a quantum kinetic equation under discrete impurities for the Wigner function from the quantum Liouville equation. To attain this goal, the electrostatic Coulomb potential is separated into the long- and short-range parts, and the…
Due to random dopant fluctuations, the device-to-device variability is a serious challenge to emerging nanoelectronics. In this work we present theoretical formalisms and numerical simulations of quantum transport variability, based on the…
We present a theoretical study of degeneracy breaking due to short-ranged impurities in finite, single-wall, metallic carbon nanotubes. The effective mass model is used to describe the slowly varying spatial envelope wavefunctions of…
This paper develops a scattering theory to examine how point impurities affect transport through quantum wires. While some of our new results apply specifically to hard-walled wires, others--for example, an effective optical theorem for…
In this work, electrical and spin properties of armchair silicene nanoribbon (ASiNR) in the presence of charged impurity is studied. The non-equilibrium Green's function along with multi-orbital tight-binding is applied to obtain…
Excitonic contributions to absorption and photocurrent generation in semiconductor nanostructures are described theoretically and simulated numerically using steady-state non-equilibrium Green's function theory. In a first approach, the…
We examine the formation of bound states on a generalized nonlinear impurity located at or near the beginning (surface) of a linear, tight-binding semi-infinite lattice. Using the formalism of lattice Green functions, we obtain in closed…
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…
The charged and magnetic states of isolated impurities dissolved in amorphous metallic alloy are investigated. The Hamiltonian of the system under study is the generalization of Anderson impurity model. Namely, the processes of elastic and…
We study the effect of impurities in superconducting graphene and discuss their influence on the local electronic properties. In particular, we consider the case of magnetic and non-magnetic impurities being either strongly localized or…
The electronic structure near defects (such as impurities) in superconductors is explored using a new, fully self-consistent technique. This technique exploits the short-range nature of the impurity potential and the induced change in the…
The transport properties of carriers in semiconducting graphene nanoribbons are studied by comparing the effects of phonon, impurity, and line-edge roughness scattering. It is found that scattering from impurities located at the surface of…
We present a quantum-field-theoretical framework based on path integrals and Feynman diagrams for the investigation of the quantum-optical properties of one-dimensional waveguiding structures with embedded quantum impurities. In particular,…
The single-particle nuclear potential is intrinsically nonlocal. In this paper, we consider nonlocalities which arise from the many-body and fermionic nature of the nucleus. We investigate the effects of nonlocality in the nuclear potential…
We use the effective-mass approximation and the density-functional theory with the local-density approximation for modeling two-dimensional nano-structures connected phase-coherently to two infinite leads. Using the non-equilibrium Green's…
Based on the calculation and analysis of local Green functions of impurity atoms of low concentration in a two-dimensional graphene lattice, the conditions for the formation and characteristics of local discrete levels with energies lying…
We use multiband real space Green's functions computed using open-boundary conditions for clean GaN to exactly solve the potential-scattering Dyson equation to obtain the electronic structure of single nitrogen and gallium vacancies. From…