Related papers: Exploring the limits of the self consistent Born a…
A consistent microscopic theory of superconductivity for strongly correlated electronic systems is presented within the extended t-J-V model where the intersite Coulomb repulsion and the electron-phonon interaction are taken into account.…
Transport characteristics of pure narrow 2D-conductors, in which the electron scattering is caused by rough side boundaries, have been studied. The conductance of such strips is highly sensitive to the intercorrelation properties of…
The soft character of organic materials leads to strong coupling between molecular nuclear and electronic dynamics. This coupling opens the way to control charge transport in organic electronic devices by inducing molecular vibrational…
We present a new embedding scheme for the locally self-consistent method to study disordered electron systems. We test this method in a tight-binding basis and apply it to the single band Anderson model. The local interaction zone is used…
Elastic electron scattering is one of the primary means of investigating materials on the atomic scale. It is usually described by modeling the sample as a fixed, static, perturbative potential, thereby completely neglecting the quantum…
We carry out quantitative studies on the Green operator $ \hat{\mathscr G}$ associated with the Born equation, an integral equation that models electromagnetic scattering, building the strong stability of the evolution semigroup…
We develop a theory for the nonequilibrium coherent transport through a mesoscopic region, based on the nonequilibrium Green function technique. The theory requires the weak coupling between the central mesoscopic region and the multiple…
Understanding of the energy exchange between electrons and phonons in metals is important for micro- and nano-manufacturing and system design. The electron-phonon (e-ph) coupling constant is to describe such exchange strength, yet its…
We present consistent results for molecular conduction using two central-complementary approaches: the non-equilibrium Green's function technique and the quantum master equation method. Our model describes electronic conduction in a…
We present an application of a new formalism to treat the quantum transport properties of fully interacting nanoscale junctions [Phys. Rev. B {\bf 84}, 235428 (2011)]. We consider a model single-molecule nanojunction in the presence of two…
By systematically comparing experimental and theoretical transport properties, we identify the polar optical phonon scattering as the dominant mechanism limiting electron mobility in beta-Ga2O3 to lower than 200 cm2/Vs at 300 K for donor…
Numerical utilities of the Contact Block Reduction (CBR) method in evaluating the retarded Green's function, are discussed for 3-D multi-band open systems that are represented by the atomic tight-binding (TB) and continuum k\cdotp (KP) band…
We present a theoretical study of the spin transport properties of mono-atomic magnetic chains with a focus on the spectroscopical features of the I-V curve associated to spin-flip processes. Our calculations are based on the s-d model for…
In this work, analytical expressions for the Green function of a Luttinger liquid are derived with one and two mobile impurities (heavy particles) using a combination of bosonization and perturbative approaches. The calculations are done in…
The reliability of the approximations commonly adopted in the calculation of static optical (hyper)polarizabilities is tested against exact results obtained for an interesting toy-model. The model accounts for the principal features of…
We present a scaling analysis of electronic and transport properties of metal-semiconducting carbon nanotube interfaces as a function of the nanotube length within the coherent transport regime, which takes fully into account atomic-scale…
We assess the accuracy of the cumulant expansion (CE) method, combined with the independent-particle approximation (IPA), for calculating charge mobility in electron-phonon systems. As representative testbeds, we consider the Peierls and…
First-principles calculations using the plane-wave pseudopotential method within the generalized gradient approximation method were performed to study the pressure dependence of the structural, elastic, electronic and optical properties for…
The generalized Kadanoff-Baym ansatz (GKBA) offers a computationally inexpensive approach to simulate out-of-equilibrium quantum systems within the framework of nonequilibrium Green's functions. For finite systems the limitation of…
Semi-Empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper an…