Related papers: Calculation of 2D electronic band structure using …
Motivated by recent experiments demonstrating the creation of atomically sharp interfaces between hexagonal sapphire and cubic SrTiO$_3$ with finite twist, we here develop and study a general electronic band theory for this novel class of…
The search of the phonon structure at the above-gap energies was carried out for $d^{2}V/dI^{2}(V)$ spectra of MgB$_{2}$ point contacts with a normal metal. The two-band model is assumed not only for the gap structure in…
The discovery of two-dimensional (2D) magnets has opened up new possibilities for miniaturizing spintronic devices to the monolayer limit. 2D half-metals, capable of conducting fully spin-polarized currents when spin-orbit coupling is…
Magnetic van der Waals materials are an important building block to realize spintronic functionalities in heterostructures of two-dimensional (2D) materials. Yet, establishing their magnetic and electronic properties and the…
Closed-form expressions for all matrix elements required for variational calculation of the electronic structure of periodic solids have been derived using a basis of explicitly correlated Gaussians (ECGs). Periodic basis functions are…
We investigate the electromagnetic propagation in two-dimensional photonic crystals, formed by parallel dielectric cylinders embedded a uniform medium. The frequency band structure is computed using the standard plane-wave expansion method,…
One-particle eigenstates and eigenvalues of two-dimensional electrons in the strong magnetic field with short range impurity and impurities, cosine potential, boundary potential, and periodic array of short range potentials are obtained by…
The 2D Fermi surface of 1st stage PdAl2Cl8 acceptor-type graphite intercalation compounds (GICs) has been investigated using the Shubnikov-de Haas (SdH) effect. One fundamental frequency is observed, the angular variation of which confirms…
The energy spectra of spin-1/2 electrons under two-dimensional magnetic field modulations are calculated beyond the one-band approximation. Our formulation is generally applicable to a modulation field with a rectangular lattice symmetry.…
This paper presents a method to estimate the static electric polarizability of two-dimensional infinitely periodic metal patch arrays with dielectric substrate. The main features of the proposed method is its numerical efficiency and a deep…
In nearly free electron theory the imposition of a periodic electrostatic potential on free electrons creates the bandstructure of a material, determined by the crystal lattice spacing and geometry. Imposing an artificially designed…
We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…
Electronic band structure for electrons bound on periodic minimal surfaces is differential-geometrically formulated and numerically calculated. We focus on minimal surfaces because they are not only mathematically elegant (with the surface…
In this work, a one-dimensional model of crystalline solids based on the Dirac comb limit of the Kronig-Penney model is considered. From the wave functions of the valence electrons, we calculate a statistical measure of complexity and the…
Electron scattering in the monolayer graphene with short-range impurities modelled by the annular well with a band-asymmetric potential has been considered. Band-asymmetry of the potential resulted in the mass (gap) perturbation in the…
A prototypical model of a one-dimensional metallic monatomic solid containing noninteracting electrons is studied, where the argument of the cosine potential energy periodic with the lattice contains the first reciprocal lattice vector G1 =…
Moving beyond traditional 2D materials is now desirable to have switching capabilities (e.g., transistors). Here we propose using borophene because, as we will show in this letter, obtaining regions of the electronic bandstructure which act…
We develop a formalism for the calculation of the macroscopic dielectric response of composite systems made of particles of one material embedded periodically within a matrix of another material, each of which is characterized by a well…
We study the dynamical stability of elemental two-dimensional (2D) metals from Li to Pb by calculating the phonon band structure from first principles, where 2D structures are assumed to be planer hexagonal, buckled honeycomb, and buckled…
The band structure of alfa-(Per)2M(mnt)2, leads to a description of these materials as nearly perfectly one dimensional conductors. The conduction is mainly along the stacking direction of the partially oxidized perylene molecules,…