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We study the electronic transport in quasiperiodic separable tight-binding models in one, two, and three dimensions. First, we investigate a one-dimensional quasiperiodic chain, in which the atoms are coupled by weak and strong bonds…
We propose a model to explore the dynamics of spin-systems coupled by exchange interaction to the conduction band electrons of a semiconductor material that forms the channel in a ferromagnet/semiconductor/ferromagnet spin-valve structure.…
Electronic structures of orthorhombic ternary nickel silicides: superconducting Lu2Ni3Si5 and its non-superconducting counterpart, Y2Ni3Si5, have been calculated employing the fully-relativistic and full-potential local-orbital method…
The link between changes in the material crystal structure and its mechanical, electronic, magnetic, and optical functionalities - known as the structure-property relationship - is the cornerstone of the contemporary materials science…
We explore a novel link between two seemingly disparate mathematical concepts: Egyptian fractions and fractals. By examining the decomposition of rationals into sums of distinct unit fractions, a practice rooted in ancient Egyptian…
We examine the stability of a 1D electrical transmission line in the simultaneous presence of PT-symmetry and fractionality. The array contains a binary gain/loss distribution $\gamma_{n}$ and a fractional Laplacian characterized by a…
We discuss physical properties of strongly correlated electron states for a linear chain obtained with the help of the recently proposed new method combining the exact diagonalization in the Fock space with an ab initio readjustment of the…
This paper gives a (polynomial time) algorithm to decide whether a given Discrete Self-Similar Fractal Shape can be assembled in the aTAM model.In the positive case, the construction relies on a Self-Assembling System in the aTAM which…
We present a detailed numerical study of the one-dimensional Holstein model with a view to understanding the self-trapping process of electrons or excitons in crystals with short-range particle-lattice interactions. Applying a very…
We consider an infinite graphene geometry where bonds and sites have been removed selectively to map it onto an effective Sierpinski gasket comprising of hexagons. We show that such a structure is capable of sustaining an infinite number of…
Rare-earth based scintillators in general and lanthanum bromide (LaBr_3) in particular represent a challenging class of materials due to pronounced spin-orbit coupling and subtle interactions between d and f states that cannot be reproduced…
Certain lattices with specific geometries have one or more spectral bands that are strictly flat, i.e. the electron energy is independent of the momentum. This can occur robustly irrespective of the specific couplings between the lattices…
In this second paper, we develop transferable semi-empirical parameters for the technologically important material, silicon, using Extended Huckel Theory (EHT) to calculate its electronic structure. The EHT-parameters areoptimized to…
Using molecular dynamics simulation, we investigate transport properties of a classical two-dimensional electron system confined in a microchannel with a narrow constriction. As a function of the confinement strength of the constriction,…
Using the tight-binding model of graphite, incorporating all Slonczewski-Weiss-McClure parameters, we compute the spectrum of two-dimensional states of electrons bound to a stacking fault in Bernal graphite. We find that those bands retain…
We calculate, via spin density functional theory (SDFT) and exact diagonalization, the eigenstates for electrons in a variety of external potentials, including double and triple dots. The SDFT calculations employ realistic wafer profiles…
Fractal patterns are observed in computational mechanics of elastic-plastic transitions in two models of linear elastic/perfectly-plastic random heterogeneous materials: (1) a composite made of locally isotropic grains with weak random…
The distinctive electronic properties of quasicrystals stem from their long range structural order, with invariance under rotations and under discrete scale change, but without translational invariance. d-dimensional quasicrystals can be…
The electronic structure of Sc1-xVxNy epitaxial films with different alloying concentrations of V are investigated with respect to effects on thermoelectric properties. Band structure calculations on Sc0.75V0.25N indicate that V 3d states…
Analytical models have been developed for fracture propagation over the last several decades and are now considered with renewed interest; the range of their applicability varies for different materials and different loading conditions.…