Related papers: Selective d-state Conduction Blocking in Nickel Na…
Electrical contacts between nano-engineered systems are expected to constitute the basic building blocks of future nano-scale electronics. However, the accurate characterization and understanding of electrical contacts at the nano-scale is…
We present an approach for calculating the electronic structure and transport properties of nanoscopic conductors that takes into account the dynamical correlations of strongly interacting d- or f-electrons by combining density functional…
The conductance of a molecular junction is commonly determined by either charge-transfer-doping, where alignment of the Fermi energy to the molecular levels is achieved, or tunnelling through the tails of molecular resonances within the…
We have studied the electrical conductance of two-dimensional (2D) random percolating networks of zero-width metallic nanowires (a mixture of rings and sticks). We toke into account the nanowire resistance per unit length and the junction…
NaAlSi is an sp electron superconductor crystallizing in a layered structure of the anti-PbFCl type with a relatively high transition temperature Tc of ~7 K. Recent electronic state calculations revealed the presence of topological nodal…
The band structure, density of states, and the Fermi surface of a recently discovered superconductor, oxygen-deficient tungsten oxide WO$_{2.9}$ that is equivalent to W$_{20}$O$_{58}$, studied within the density functional theory (DFT) in…
We theoretically analyzed a magnetic wall confined in a nano-contact spin valve paying special attention to the penetration of the magnetic wall into thin ferromagnetic electrodes. We showed that, compared with the Bloch wall, the…
Increasing resistivity of metal wires with reducing nanoscale dimensions is a major performance bottleneck of semiconductor computing technologies. We show that metals with suitably anisotropic Fermi velocity distributions can strongly…
We study the effect of the domain wall on electronic transport properties in wire of ferromagnetic 3$d$ transition metals based on the linear response theory. We considered the exchange interaction between the conduction electron and the…
In rare-earth monopnictides like NdBi, the interplay between magnetism and topology results in an extremely unusual topological semimetal phase which simultaneously hosts Weyl points with Fermi arcs as well as massive and massless Dirac…
At semiconductor-metal junctions, the Schottky barrier height is generally fixed by "Fermi-level pinning". We find that when a semiconducting carbon nanotube is end-contacted to a metal (the optinal geometry for nanodevices), the behavior…
The configurations, stability and electronic structures of a new class of boron sheet and related boron nanotubes are predicted within the framework of density functional theory. This boron sheet is sparser than those of recent proposals.…
We report a first principles analysis of electronic transport characteristics for (n,n) carbon nanotube bundles. When n is not a multiple of 3, inter-tube coupling causes universal conductance suppression near Fermi level regardless of the…
Recent experiments showed that the conductance of Pt nanocontacts and nanowires is measurably reduced by adsorption of CO. We present DFT calculations of the electronic structure and ballistic conductance of a Pt monoatomic chain and a CO…
Spin-selective tunneling of holes in SiGe nanocrystals contacted by normal-metal leads is reported. The spin selectivity arises from an interplay of the orbital effect of the magnetic field with the strong spin-orbit interaction present in…
Recent experiments showed that the last, single channel conductance step in monatomic gold contacts exhibits significant fluctuations as a function of stretching. From simulations of a stretched gold nanowire linked to deformable tips, we…
We present measurements of magnetic tunnel junctions made using a self-assembled-monolayer molecular barrier. Ni/octanethiol/Ni samples were fabricated in a nanopore geometry. The devices exhibit significant changes in resistance as the…
New materials such as nodal-line semimetals offer a unique setting for novel transport phenomena. Here, we calculate the quantum correction to conductivity in a disordered nodal-line semimetal. The torus-shaped Fermi surface and encircled…
We have investigated the contact resistance of rubrene single-crystal field-effect transistors (FETs) with Nickel electrodes by performing scaling experiments on devices with channel length ranging from 200 nm up to 300 $\mu$m. We find that…
We investigate transport in a superconducting nanostructure housing a Weyl point in the spectrum of Andreev bound states. A minimum magnet state is realized in the vicinity of the point. One or more normal-metal leads are tunnel-coupled to…