Related papers: Stability of wurtzite semi-polar surfaces: algorit…
Electronic structure calculations using the augmented spherical wave method have been performed for CuRhO2. For this semiconductor crystallizing in the delafossite structure, it is found that the valence band maximum is mainly due to the 4d…
Electronic structure properties of nanowires (NW) with diameters of 1.5 nm and 3 nm based on semimetallic $\alpha$-Sn are investigated by employing density functional theory and perturbative $GW$ methods. We explore the dependence of…
A new type of effective atomic pseudopotential for passivation of semiconductor surfaces is presented. It is shown that the spherical approximation used in the effective and empirical pseudopotential methods is not suitable for describing…
Twist-grain-boundary phases in smectics are the geometrical analogs of the Abrikosov flux lattice in superconductors. At large twist angles, the nonlinear elasticity is important in evaluating their energetics. We analytically construct the…
On the basis of first-principles G0W0 calculations we study systematically how the electronic levels of a benzene molecule are renormalized by substrate polarization when physisorbed on different metallic and semiconducting surfaces. The…
We present a new approach for predicting stable equilibrium shapes of crystalline islands on flat substrates, as commonly occur through solid-state dewetting of thin films. The new theory is a generalization of the widely used Winterbottom…
GaAs nanowires with a 100% wurtzite structure are synthesized by the vapor-liquid-solid method in a molecular beam epitaxy system, using gold as a catalyst. We use resonant Raman spectroscopy and photoluminescence to determine the position…
An approach to calculation of the ionized impurity and surface roughness scattering rates of electrons in very thin semiconductor quantum wires taking into account the energy level broadening is worked out. It is assumed that all the…
We report on self-assembly, clustering, and conformational phases of peptides on inorganic semiconductor surfaces. The peptide-covered surface fraction can differ by a factor of 25, depending mainly on surface and peptide polarity. Low…
We consider non-interacting particles subject to a fixed external potential $V$ and a self-generated magnetic field $B$. The total energy includes the field energy $\beta \int B^2$ and we minimize over all particle states and magnetic…
Unconventional d-wave superconductors with pair-breaking edges are predicted to have ground states with spontaneously broken time-reversal and translational symmetries. We use the quasiclassical theory of superconductivity to demonstrate…
Precise determination of the solid-state microstructure of semiconducting polymers is of paramount importance for the further development of these materials in various organic electronic technologies. Yet, prior characterization of the…
We have undertaken a study of diluted magnetic semiconductors $Ga_{1-x}Mn_{x}N$ and $Ga_{1-x}Cr_{x}N$ with $x=0.0625, 0.125$, using the all electron linearized augmented plane wave method (LAPW) for different configurations of Mn as well as…
Crystals grow by gathering and bonding of atoms to form an ordered structure. Typically, the growth is equally probable in all crystalline directions, but sometimes, it is not, as is the case of nanowire growth. Nanowire growth is…
We present models of surfaces of crystals in an environment where molecular beam epitaxy (MBE) and related methods of crystal growth like atomic layer epitaxy (ALE) can be performed. Besides detailed models of reconstructed (001) surfaces…
One of the most puzzling aspects of the high $T_c$ superconductors is the appearance of Fermi arcs in the normal state of the underdoped cuprate materials. These are loci of low energy excitations covering part of the fermi surface, that…
Normal incidence ion irradiation at elevated temperatures, when amorphization is prevented, induces novel nanoscale patterns of crystalline structures on elemental semiconductors by a reverse epitaxial growth mechanism: on Ge surfaces…
The semimetal MoTe$_2$ is studied by spin- and angle- resolved photoemission spectroscopy to probe the detailed electronic structure underlying its broad range of response behavior. A novel spin-texture is uncovered in the bulk Fermi…
Vortices are topological objects carrying quantized orbital angular momentum and have been widely studied in many physical systems for their applicability in information storage and processing. In systems with spin degree of freedom the…
Phase crystals are a class of nonuniform superconducting ground states characterized by spontaneous phase gradients of the superconducting order parameter. These phase gradients nonlocally drive periodic currents and magnetic fields, thus…