Related papers: Interaction of a CO molecule with a Pt monatomic w…
We present a systematic study of the electronic and magnetic properties of transition-metal (TM) atomic chains adsorbed on the zigzag single-wall carbon nanotubes (SWNTs). We considered the adsorption on the external and internal wall of…
The scattering-based approach for calculating the ballistic conductance of open quantum systems is generalized to deal with magnetic transition metals as described by ultrasoft pseudo-potentials. As an application we present…
Using ab initio methods, we examine the the charge distribution at the interface of alpha-alumina-supported Pt films, and we consider the influence of this interface on CO adsorption. We demonstrate that a combination of electrostatic…
We consider the conductance of a one-dimensional wire interrupted by a double-barrier structure allowing for a resonant level. Using the electron-electron interaction strength as a small parameter, we are able to build a non-perturbative…
Spin-orbit (SO) coupling -- the interaction between a quantum particle's spin and its momentum -- is ubiquitous in nature, from atoms to solids. In condensed matter systems, SO coupling is crucial for the spin-Hall effect and topological…
An existence of predominant symmetrical spin configuration (spin polarised phase) and "diluted" density of states (pseudo-gap) in a layer under the Fermi level in a quantum wire is predicted. The condition of cross-over from non-polarised…
The combination of spin-orbit coupling driven effects and multiferroic tunneling properties was explored experimentally in thin Pt/Co/BTO/LSMO multilayers. The presence of a Pt heavy metal allows for the spin current-induced magnetization…
We present a state-of-the-art first-principles analysis of electronic transport in a Pt nanocontact in the presence of H2 which has been recently reported by Smit et al. in Nature 419, 906 (2002). Our results indicate that at the last…
We study ballistic transport of spin-polarized electrons through quantum wires in which the strength of the Rashba spin-orbit interaction (SOI) is spatially modulated. Subband mixing, due to SOI, between the two lowest subbands is taken…
Bandstructure effects in PMOS transport of strongly quantized silicon nanowire field-effect-transistors (FET) in various transport orientations are examined. A 20-band sp3d5s* spin-orbit-coupled (SO) atomistic tight-binding model coupled to…
We investigate a possibility of pair electron-electron e-e collisions in a ballistic wire with spin-orbit coupling and only one populated mode. Unlike in a spin-degenerate system, a combination of spin-splitting in momentum space with a…
Ferroelectric polar displacements have recently been observed in conducting electron-doped BaTiO3. The co-existence of a ferroelectric phase and conductivity opens the door to new functionalities which may provide a unique route for novel…
CO adsorption on the Pt(111) surface is studied using first-principles methods. As found in a recent study [Feibelman, et al., J. Phys. Chem. B 105, 4018 (2001)], we find the preferred adsorption site within density functional theory to be…
The electronic transport properties of a point-contact system formed by a single Co atom adsorbed on Cu (100) and contacted by a copper tip is evaluated in the presence of intra-atomic Coulomb interactions and spin-orbit coupling. The…
In this work we investigate the spin-dependent transport through a double quantum dot embedded in a ferromagnetic tunnel junction and side attached to a topological superconducting nanowire hosting Majorana zero-energy modes. We focus on…
Electronic structure calculations were performed on the compound CoS$_2$, an itinerant ferromagnet whose magnetic properties can be understood in terms of spin fluctuation theory. We have identified nesting features in the Fermi surface of…
Density functional theory based calculations of the energetics of adsorption and diffusion of CO on Pt islets and on the Ru(0001) substrate show that CO has the lowest adsorption energy at the center of the islet, and its bonding increases…
Conductance measurements of a molecular wire, contacted between an epitaxial molecule-metal bond and the tip of a scanning tunneling microscope, are reported. Controlled retraction of the tip gradually de-hybridizes the molecule from the…
We use the technique of bosonization to understand a variety of recent experimental results on the conductivity of a quantum wire. The quantum wire is taken to be a finite-length Luttinger liquid connected on two sides to semi-infinite…
A conducting bridge of a single hydrogen molecule between Pt electrodes is formed in a break junction experiment. It has a conductance near the quantum unit, G_0 = 2e^2/h, carried by a single channel. Using point contact spectroscopy three…