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We study the nature of the electronic states in the intermediate band formed by interstitial titanium in silicon. Our single-site description combines effects of electronic correlations, captured by dynamical mean-field theory, and…
We study the variation of electron transmission through Au-S-benzene-S-Au junctions and related systems as a function of the structure of the Au:S contacts. For junctions with semi-infinite flat Au(111) electrodes, the highly coordinated…
The energy of an Andreev bound state in a clean normal metal in contact with two superconductors disperses with the difference $\Delta \phi$ in the superconducting phase between the superconductors in much the same way as the energies of…
Two-dimensional (2D) tin monoxide (SnO) has attracted much attention owing to its distinctive electronic and optical properties, which render itself suitable as a channel material in field effect transistors (FETs). However, upon contact…
Solids with strong electron correlations generally develop exotic phases of electron matter at low temperatures. Among such systems, the heavy-fermion semi-metal URu2Si2 presents an enigmatic transition at To = 17.5 K to a `hidden order'…
This manuscript presents the general approach to the understanding of the connection between bonding mechanism and electronic structure of graphene on metals. To demonstrate its validity, two limiting cases of the "weakly" and "strongly"…
The electrical conductivity of graphene containing point defects is studied within the binary alloy model in its dependence on the Fermi level position at the zero temperature. It is found that the minimal conductivity value does not have a…
A defining property of metals is the existence of a Fermi surface: for two dimensions, a continuous contour in momentum space which separates occupied from unoccupied states. In this paper, I discuss angle resolved photoemission data on the…
It has been found that periodically closely spaced vacancies on a graphite sheet cause a significant rearrange-ment of its electronic spectrum: metallic waveguides with a high density of states near the Fermi level are formed along the…
Understanding the formation of metal-molecule contact at the microscopic level is the key towards controlling and manipulating atomic scale devices. Employing two isomers of bipyridine, $4, 4^\prime$ bipyridine and $2, 2^\prime$ bipyridine…
The Fermi surface is an abstract object in the reciprocal space of a crystal lattice, enclosing the set of all those electronic band states that are filled according to the Pauli principle. Its topology is dictated by the underlying lattice…
We study the impact of electrode band structure on transport through single-molecule junctions by measuring the conductance of pyridine-based molecules using Ag and Au electrodes. Our experiments are carried out using the scanning tunneling…
The multi-electron wave function of an interacting electron system depends on the size of the system, i.e. the number of electrons. Here the question investigated is how the wave function changes for a symmetric Friedel-Anderson impurity…
We present a theoretical study of the transport characteristics of molecular junctions, where first-row diatomic molecules are attached to (001) gold and platinum electrodes. We find that the conductance of all of these junctions is of the…
We investigate the electron spectra, Fermi surfaces and their characteristics near crossing points of two band-contact lines in nodal-line semimetals. In particular, the extremal cross-sectional areas, and the appropriate cyclotron masses…
Different types of superfluid ground states have been investigated in systems of two species of fermions with Fermi surfaces that do not match. This study is relevant for cold atomic systems, condensed matter physics and quark matter. In…
The formation of a metal/PTCDA (3, 4, 9, 10-perylenetetracarboxylic dianhydride) interface barrier is analyzed using weak-chemisorption theory. The electronic structure of the uncoupled PTCDA molecule and of the metal surface is calculated.…
The Fermi surface topology plays an important role in the macroscopic properties of metals. It can be particularly sensitive to electron correlation, which appears to be especially significant for the weak itinerant ferromagnet ZrZn$_{2}$.…
In a quasi two-dimensional electron system with non-zero layer thickness, a parallel magnetic field (B||) can couple to the out-of-plane electron motion and lead to a severe distortion and eventual disintegration of the Fermi contour. Here…
The full three dimensional dispersion of the pi-bands, Fermi velocities and effective masses are measured with angle resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functional…