Related papers: Two-band second moment model and an interatomic po…
A semi-empirical formalism based on the second moment tight binding approach, considering two bands is presented for deriving interatomic potentials for magnetic d-band materials and transition metal alloys. It incorporates an empirical…
}We present a formalism for extending the second moment tight-binding model, incorporating ferro- and anti-ferromagn etic interaction terms which are needed for the FeCr system. For antiferromagnetic and paramagnetic materials, an explicit…
We develop an empirical potential for silicon which represents a considerable improvement over existing models in describing local bonding for bulk defects and disordered phases. The model consists of two- and three-body interactions with…
We propose a two band model for superconductivity. It turns out that the simplest nontrivial case considers solely interband scattering, and both bands can be modeled as symmetric (around the Fermi level) and flat, thus each band is…
We consider a model for superconductivity in a two-band superconductor, having an anisotropic electronic structure made of two partially overlapping bands with a first hole-like and a second electron-like fermi surface. In this pairing…
Interatomic potentials approximate the potential energy of atoms as a function of their coordinates. Their main application is the effective simulation of many-atom systems. Here, we review empirical interatomic potentials designed to…
We show how strongly correlated ultracold bosonic atoms loaded in specific orbital angular momentum states of arrays of cylindrically symmetric potentials can realize a variety of spin-1/2 models of quantum magnetism. We consider explicitly…
Mixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and…
A spinless two-band model is studied in infinite dimension limit. Starting from the atomic limit, the formal exact solution of the model is obtained by means a perturbative treatment of the hopping and hybridisation terms. The model is…
We use recent theoretical advances to develop a new functional form for interatomic forces in bulk silicon. The theoretical results underlying the model include a novel analysis of elastic properties for the diamond and graphitic structures…
Accurate modeling of electronic properties of nanostructures is a challenging theoretical problem. Methods making use of continuous media approximation, such as k.p, sometimes struggle to reproduce results obtained with more accurate…
We derive the semiclassical WKB quantization condition for obtaining the energy band edges of periodic potentials. The derivation is based on an approach which is much simpler than the usual method of interpolating with linear potentials in…
We study a two-band Hubbard model using the dynamical mean-field theory combined with the exact diagonalization method. At the electron density $n=2$, a transition from a band-insulator to a correlated semimetal occurs when the on-site…
A simple two-band model is used to describe the magnitude and temperature dependence of the magnetic susceptibility, Hall coefficient and Seebeck data from undoped and Co doped BaFe2As2. Overlapping rigid parabolic electron and hole bands…
An empirical semi-classical model have been proposed to investigate the nature of dynamic moment-of-inertia , of the super-deformed (SD) bands in nuclei of mass 150 region. The model incorporates an additional frequency dependent…
The approximate representation of a quantum solid as an equivalent composite semi-classical solid is considered for insulating materials. The composite is comprised of point ions moving on a potential energy surface. In the classical bulk…
We evaluate the Casimir-Polder potential between two atoms in the presence of an infinite perfectly conducting plate and at nonzero temperature. In order to calculate the potential, we use a method based on equal-time spatial correlations…
A two-dimensional gas of non-interacting quasiparticles in a nearly periodic potential is considered at zero temperature. The potential is a superposition of a periodic potential, induced by the charge density wave of a Wigner crystal, and…
We introduce a two-band Kondo-lattice model to describe ferromagnetic half-metals with local magnetic moments. In a model study, the electronic and magnetic properties are presented by temperature dependent magnetization curves,…
In this paper we propose a particular description of meson spectroscopy, with emphasis in heavy bound states like charmonia and bottomonia, after working on the main aspects of the construction of an effective potential model. We use the…