Related papers: Counterintuitive issues in the charge transport th…
Nonlinear transport through a quantum dot is studied in the limit of weak and strong intra-dot Coulomb interaction. For the latter regime the nonequilibrium self-consistent mean field equations for energies and spectral weights of…
Charge and heat transport through a single molecule tunnel-coupled to external normal electrodes have been studied. The molecule with sufficiently strong interaction between lectrons and vibrational internal degrees of freedom can be…
We study both the electrical and thermal transport near the heavy-fermion quantum critical point (QCP), identified with the breakdown of the Kondo effect as an orbital selective Mott transition. We show that the contribution to the…
Every now and then one can hear in the molecular electronics community that asymmetric couplings ($\Gamma_{s} \neq \Gamma_{t}$) of the dominant level (molecular orbital) to electrodes ($s$ and $t$) which typically have shapes different of…
We thoroughly analyze the divergences of the irreducible vertex functions occurring in the charge channel of the half-filled Hubbard model in close proximity to the Mott metal-insulator transition (MIT). In particular, by systematically…
Non-Fermi liquids arise when strong interactions destroy stable fermionic quasiparticles. The simplest models featuring this phenomenon involve a Fermi surface coupled to fluctuating gapless bosonic order parameter fields, broadly referred…
For adjusting the charging state of a molecular metal complex in the context of a density functional theory description of coherent electron transport through single molecule junctions, we correct for self interaction effects by fixing the…
We report first-principles calculations of the inelastic current-voltage (I-V) characteristics of a gold point contact and a molecular junction in the nonresonant regime. Discontinuities in the I-V curves appear in correspondence to the…
Investigation of the inherent field-driven charge transport behaviour of 3D lead halide perovskites has largely remained a challenging task, owing primarily to undesirable ionic migration effects near room temperature. In addition, the…
In transport calculations for molecular junctions based on density functional theory the choice of exchange and correlation functional may dramatically affect the results. In particular local and semi-local functionals tend to…
We propose that the non-equilibrium current measured in the $a-b$ plane of an underdoped cuprate (in either the strange metal or pseudogap regime) in contact with either an overdoped cuprate or a standard Fermi liquid can be used diagnose…
Understanding mechanisms of ion transport in bulk materials is central to designing next-generation ion conductors for energy storage devices, yet studies employing all-atom molecular dynamics (MD) have largely been limited to reporting…
The linear conductance of a molecular conductor oscillating between two metallic leads is investigated numerically both for Hubbard interacting and noninteracting electrons. The molecule-leads tunneling barriers depend on the molecule…
Several studies on the transition voltage ($V_t$) are based on calculations of the tunneling current within the Simmons model. In this paper devoted to vacuum nano-junctions, we compare the Simmons results for $V_t$ with those obtained from…
Accurate determination of electronic properties of correlated oxides remains a significant challenge for computational theory. Traditional Hubbard-corrected density functional theory (DFT+U) frequently encounters limitations in precisely…
We consider the steady-state nonequilibrium behavior of mesoscopic superconducting wires connected to normal-metal reservoirs. Going beyond the diffusive limit, we utilize the quasiclassical theory and perform a self-consistent calculation…
We present a quaternion inspired formalism specifically developed to evaluate the intensity of the electrical current that traverses a single molecule connected to two semi-infinite electrodes as the applied external bias is varied. The…
The present paper gives an elaborate theoretical description of a new molecular charge transport mechanism applying to a single molecule trapped between two macroscopic electrodes in a solid state device. It is shown by a Hubbard type model…
Motivated by recent experiments on multiterminal Josephson junctions (MJJs) that probe different ranges of the size and bias voltage parameters, we explore the regime of increasing bias voltage in large-scale devices, where the…
Filling-control metal-insulator transition on the two-dimensional Hubbard model is investigated by using the correlator projection method, which takes into account momentum dependence of the free energy beyond the dynamical mean-field…