Related papers: Modified Li chains as atomic switches
We present a scattering-state description for the non-equilibrium multichannel charge transport in the presence of electron-vibration couplings. It is based on an expansion of scattering orders of eigenchannel states. Examining charge…
Scattering of carriers with ionized impurities governs charge transport in doped semiconductors. However, electron interactions with ionized impurities cannot be fully described with quantitative first-principles calculations, so their…
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…
A Green function analysis has been developed for quasiparticle spectrum and localized states of a 2D graphene sheet in presence of different types of substitutional disorder, including vacancies. The anomalous character of impurity effects…
The effects of impurities in spin-1/2 Heisenberg chains are recently experiencing a renewed interest due to experimental realizations in solid state systems and ultra-cold gases. The impurities effectively cut the chains into finite…
Stationary electric transport in semiconductor nanostructures is studied by the method of nonequilibrium Green functions. In the case of sequential tunneling the results are compared with density matrix theory, providing almost identical…
Quantifying charge-state transition energy levels of impurities in semiconductors is critical to understanding and engineering their optoelectronic properties for applications ranging from solar photovoltaics to infrared lasers. While these…
A numerical method for calculation of the electronic structure of transition metal impurities in semiconductors based on the Green function technique is developed. The electronic structure of 3d impurity is calculated within the LDA+U…
We present the results on the anomalous 2D transport behavior by employing Drude-Boltzmann transport theory and taking into account the realistic charge impurity scattering effects. Our results show quantitative agreement with the existing…
We study the interplay of intrinsic-electronic and environmental factors on long-range charge transport across molecular chains with up to $N\sim 80$ monomers. We describe the molecular electronic structure of the chain with a tight-binding…
The main goal of our study was investigation of the influence of the deformations (sufficiently large for the establishing the non-zero gap) on electrotransport properties of impure graphene. To achieve this purpose, we implemented the…
Amorphous organic semiconductors based on small molecules and polymers are used in many applications, most prominently organic light emitting diodes (OLEDs) and organic solar cells. Impurities and charge traps are omnipresent in most…
We investigate the effects of charged impurity distributions and carrier-carrier interactions on electronic transport in graphene on SiO$_2$ by employing a self-consistent coupled simulation of carrier transport and electrodynamics. We show…
We consider a one-dimensional (1D) wire along which single conduction electrons can propagate in the presence of two spin-1/2 magnetic impurities. The electron may be scattered by each impurity via a contact-exchange interaction and thus a…
Non-magnetic impurities in an S=1/2 Heisenberg antiferromagnetic chain are studied using boundary conformal field theory techniques and finite-temperature quantum Monte Carlo simulations. We calculate the static structure function,…
The electronic transport properties and switching mechanism of single photochromic diarylethene derivatives sandwiched between two gold surfaces with closed and open configurations are investigated by a fully self-consistent nonequilibrium…
We study the impurity states in bilayer graphene in the unitary limit using Green's function method. Unlike in single layer graphene, the presence of impurities at two non-equivalent sites in bilayer graphene produce different impurity…
We report the results of an ab initio modeling of substitutional impurities such as zinc, copper and zirconium ions incorporated into the magnesium sublattice of MgB2. The goal of computational studies was to gain an atomistic understanding…
This paper discusses the influence of the channel impurity distribution on the transport and the drive current in short-gate MOSFET. In this purpose, a careful description of electron-ion interaction suitable for the case of discrete…
Effects of impurity on the spin-dependent transport in a single wall carbon nanotube spin-valve, as ferromagnetic electrode/carbon nanotube/ferromagnetic electrode model junction is numerically investigated. Using a generalized Green's…