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The Kohn-Luttinger (KL) mechanism of pairing, which describes superconductivity emergent from repulsive interactions, typically yields Cooper pairs at high angular-momentum ($\ell > 0$) and extremely low transition temperatures ($T_c$).…
Carbon, being one of the most versatile elements of the periodic table, forms solids and molecules with often unusual properties. Recently, a novel family of three-dimensional graphitic carbon structures, the so-called hyperhoneycomb…
We perform an {\it ab initio} modeling of amorphous copper-doped alumina (a-Al$_2$O$_3$:Cu), a prospective memory material based on resistance switching, and study the structural origin of electronic conduction in this material. We generate…
Impressive progress in the control of atomically thin crystals is now enabling the realization of gated structures in which two electrodes are separated by atomic scale distances. The electrical capacitance of these structures is determined…
The electrical conductance and RHEED intensities as a function of the coverage have been measured during Pb depositions at 105 K on Si(111)-(6x6)Au with up to 4.2 ML of annealed Pb. The experiments show the strong influence of used…
Carbon nanomaterials continue to amaze scientists due to their exceptional physical properties. Recently there have been theoretical predictions and first reports on graphene multilayers, where, due to the rotation of the stacked layers,…
We present ab initio electronic structure calculations based on density functional theory for the thermoelectric properties of Bi$_2$Te$_3$ films. Conductivity and thermopower are computed in the diffusive limit of transport based on the…
We introduce a new approach to density functional theory based on kinetic theory, showing that the Kohn-Sham equations can be derived as a macroscopic limit of a suitable Boltzmann kinetic equation in the limit of small mean free path…
We review the fabrication and key transport properties of graphene double layers, consisting of two graphene monolayers placed in close proximity, independently contacted, and separated by an ultra-thin dielectric. We outline a simple band…
A computational scheme for the investigation of complex materials with strongly interacting electrons is formulated which is able to treat atomic displacements, and hence structural relaxation, caused by electronic correlations. It combines…
In the Cu Cr system, the formation of supersaturated solid solutions can be obtained by severe plastic deformation. Energy dispersive synchrotron diffraction measurements on as deformed Cu Cr samples as a function of the applied strain…
Surface growth is a crucial component of many natural and artificial processes from cell proliferation to additive manufacturing. In elastic systems surface growth is usually accompanied by the development of geometrical incompatibility…
Recent studies of organic molecular solids are highlighted by their complex phase diagram and light-induced phenomena, such as Mott insulator, spin liquid phase, and superconductivity. However, a discrepancy between experimental observation…
We have performed a theoretical study of electronic transport in single and bilayer graphene based on the standard linear-response (Kubo) formalism and continuum-model descriptions of the graphene band structure. We are focusing especially…
We consider the problem of sliding motion of a charge-density-wave subject to static disorder within an elastic medium model. Starting with a field-theoretical formulation, which allows exact disorder averaging, we propose a self-consistent…
We have measured IV-curves of multiwalled carbon nanotubes using end contacts. At low voltages, the tunneling conductance obeys non-Ohmic power law, which is predicted both by the Luttinger liquid and the environment-quantum-fluctuation…
We study the evolution of conductance regimes in carbon nanotubes with doubly degenerate orbitals (``shells'') by controlling the contact transparency within the same sample. For sufficiently open contacts, Kondo behavior is observed for 1,…
The wear-driven structural evolution of nanocrystalline Cu was simulated with molecular dynamics under constant normal loads, followed by a quantitative analysis. While the microstructure far away from the sliding contact remains unchanged,…
A many-body theory of paramagnetic Kondo insulators is described, focusing specifically on single-particle dynamics, scattering rates, d.c. transport and optical conductivities. This is achieved by development of a non-perturbative local…
Computational studies of basic models of strongly-correlated electron systems can provide guidance in the search for new materials as well as insight into the physical mechanisms responsible for their properties. Here, we illustrate this by…