相关论文: Local lattice potentials and steady-state vacancie…
The structural and electronic properties of interfaces between beta-SiC and III-V semiconductors are studied by first-principles calculations. Favorable bonding configurations are found to form between Si-V and C-III (model A) for BN, AlN,…
An analytical model of high frequency oscillations of the kinetic and potential energies in a one-dimensional harmonic crystal with a substrate potential is obtained by introducing the nonlocal energies [1]. A generalization of the kinetic…
We report the optical trapping of multiple ions localized at individual lattice sites of a one-dimensional optical lattice. We observe a fivefold increase in robustness against axial DC-electric fields and an increase of the axial…
Two-dimensional spatial solitonic lattices are generated and investigated experimentally and numerically in an SBN:Ce crystal. An enhanced stability of these lattices is achieved by exploiting the anisotropy of coherent soliton interaction,…
Near or less than 10% Nb substitution on the Ti site in perovskite SrTiO$_3$ results in metallic behavior, in contrast to what is seen in BaTiO$_3$. Given the nearly identical structure and electron counts of the two materials, the distinct…
Enhanced conductivity at ferroelectric domain walls in BiFeO$_3$ has been widely observed, yet the microscopic origins of this effect, including electronic contributions from domain-wall defects, are incompletely understood at the atomistic…
In the present work, we generalize earlier considerations for intrinsic localized modes consisting of a few excited sites, as developed in the one-component discrete nonlinear Schrodinger equation model, to the case of two-component…
Taking into account the possibility of a p-wave hybridization function $V(\vec k)$ of ad-atom with Dirac electrons in graphene -- which arises for vacancies and hollow-site impurities -- we study the nature of magnetic moment formation…
We observe that pressure-induced amorphization of Ga2SeTe2 (a III-VI semiconductor) is directly influenced by the periodicity of its intrinsic defect structures. Specimens with periodic and semi-periodic two-dimensional vacancy structures…
We investigate two-dimensional (2D) states of Bose-Einstein condensates (BEC) with self-attraction or self-repulsion, trapped in an axially symmetric optical-lattice potential periodic along the radius. Unlike previously studied 2D models…
Recording field ion microscope images under field evaporating conditions and subsequently reconstructing the underlying atomic configuration, called three-dimensional field ion microscopy (3D-FIM) is one of the few techniques capable of…
In carbon nanotubes, the most abundant defects, caused for example by irradiation or chemisorption treatments, are small perturbing clusters, i.e. bi-site defects, extending over both A and B sites. The relative positions of these…
In$_2$Se$_3$ is a semiconductor material that can be stabilized in different crystal structures (at least one 3D and several 2D layered structures have been reported) with diverse electrical and optical properties. This feature has plagued…
In this paper we present a theoretical investigation of the effect of a superlattice potential on some properties of non-interacting bosons in one dimensional lattices with Aubry-And\'re disorder potential. In the first part, we investigate…
We perform accurate investigation of stability of localized vortices in an effectively two-dimensional ("pancake-shaped") trapped BEC with negative scattering length. The analysis combines computation of the stability eigenvalues and direct…
The phonon dispersion relation of NiTi in the simple cubic B2 structure is computed using first-principles density-functional perturbation theory with pseudopotentials and a plane-wave basis set. Lattice instabilities are observed to occur…
We carry out a detailed stability analysis of the superconducting vortex solutions in the Weinberg-Salam theory described in Nucl.Phys. B826 (2010) 174. These vortices are characterized by constant electric current $I$ and electric charge…
By using DFT+U, we explore the formation of oxygen vacancies and their impact on the electronic and magnetic structure in strained bulk LaNiO3 and (LaNiO3)$_1$/(LaAlO3)$_1$(001) superlattices. For bulk LaNiO3, we find that epitaxial strain…
It is argued that topological disorder in amorphous solids can be described by local strains related to local reference crystals and local rotations. An intuitive localization criterion is formulated from this point of view. The Inverse…
It is shown that inhomogeneous nonlinear interactions in a Bose-Einstein condensate loaded in an optical lattice can result in delocalizing transition in one dimension, what sharply contrasts to the known behavior of discrete and periodic…