Related papers: Ab initio study of a mechanically gated molecule: …
The electronic structure of small Hubbard molecules coupled between two non-interacting semi-infinite leads is studied in the low bias-voltage limit. To calculate the finite-temperature Green's function of the system, each lead is simulated…
The effect of a magnetic field on the equilibrium spectral and transport properties of a single-molecule junction is studied using the numerical renormalization group method. The molecule is described by the Anderson-Holstein model in which…
Kondo systems ranging from the single Kondo impurity to heavy fermion materials present us with a plethora of unconventional properties whose theoretical understanding is still one of the major open problems in condensed matter physics.…
Systems with strong spin orbit coupling support a number of new phases of matter and novel phenomena. This work focuses on the interplay of spin orbit coupling and interactions in yielding correlated phenomena in two dimensional transition…
Quantum systems characterized by an interplay between several resonance scattering channels demonstrate very rich physics. To illustrate it we consider a multistage Kondo effect in nanodevices as a paradigmatic model for a multimode…
Transport through molecular magnets is studied in the regime of strong coupling to the leads. We consider a resonant-tunneling model where the electron spin in a quantum dot or molecule is coupled to an additional local, anisotropic spin…
The effect on molecular transport due to chemical modification of the metal-molecule interface is investigated, using as an example the prototypical molecular device formed by attaching a p-disubstituted benzene molecule onto two gold…
In this paper I give a detailed account of an ab initio methodology for describing strong electronic correlations in nanoscale devices hosting transition metal atoms with open $d$- or $f$-shells. The method combines Kohn-Sham Density…
Recently, the issue of whether the Kondo problem in quantum dots at large bias is a weak-coupling problem or not has been raised. In this paper, we revisit this problem by carefully analyzing a corresponding model in the solvable limit --…
We present the study of Kondo effect in an interacting quantum wire. We mainly emphasis the effect of strong electronic correlations in the study of renormalization group flow diagram and the stability analysis of fixed points for both…
The correlation-driven Mott transition is commonly characterized by a drop in resistivity across the insulator-metal phase boundary; yet, the complex permittivity provides a deeper insight into the microscopic nature. We investigate the…
In this work we discuss the combined effects of finite-range electron-electron interaction and finite-range tunneling on the transport properties of ultrasmall tunnel junctions. We show that the Coulomb blockade phenomenon is deeply…
Coulomb blockade phenomena and quantum fluctuations are studied in mesoscopic metallic tunnel junctions with high charging energies. If the resistance of the barriers is large compared to the quantum resistance, transport can be described…
The state of the art ab initio calculations reveal the effect of a scanning tunnelling microscopy tip on magnetic properties and conductance of a benzene-adatom sandwich on Cu(001). We concentrate on a benzene-Co system interacting with a…
Tunneling spectroscopy of InAs nanocrystals deposited on graphite was measured using scanning tunneling microscopy, in a double-barrier tunnel-junction configuration. The effect of the junction symmetry on the tunneling spectra is studied…
The magnetic coupling between single Co atoms adsorbed on a copper surface is determined by probing the Kondo resonance using low-temperature scanning tunneling spectroscopy. The Kondo resonance, which is due to magnetic correlation effects…
We study the effect of electron-electron interaction on the transport properties of short clean quantum wires adiabatically connected to reservoirs. Interactions lead to resonances in a multi-channel wire at particular values of the Fermi…
Resonant tunneling in an open mesoscopic quantum dot is proposed as a vehicle to realize a tunable Fermi-edge resonance with variable coupling strength. We solve the x-ray edge problem for a generic nonseparable scatterer and apply it to…
We calculate characteristic correlation functions for the Anderson model with additional phonon-assisted coupling to the odd conduction channel. This model describes, for example, the behavior of a molecule embedded between two electrodes…
The Kondo effect in coupled quantum dots is investigated from the viewpoint of transmission spectroscopy using the slave-boson formalism of the Anderson model. The antiferromagnetic spin-spin coupling $J$ between the dots is taken into…