相关论文: Simple model for Crystal Field Theory

I present a critical overview of so-called "{\it ab initio}" DFT (density fuctional theory) based calculation schemes for the description of the electronic structure, energy spectrum, and optical response for strongly correlated 3$d$…

Using a generalized order parameter gradient expansion within density functional theory, we derive a phase-field-crystal model for liquid crystals composed by apolar particles in three spatial dimensions. Both the translational density and…

We study the symmetry-broken phases in two- and three-orbital Hubbard models with lifted orbital degeneracy using dynamical mean field theory. On the technical level, we explain how symmetry relations can be exploited to measure the…

We introduced some contact potentials that can be written as a linear combination of the Dirac delta and its first derivative, the $\delta$-$\delta'$ interaction. After a simple general presentation in one dimension, we briefly discuss a…

A detailed simple model is applied to study a metallic cluster. It is assumed that the ions and delocalized electrons are distributed randomly throughout the cluster. The delocalized electrons are assumed to be degenerate. A spherical ball…

The linear band crossings of 3D Dirac and Weyl semimetals are characterized by a charge chirality, the parallel or anti-parallel locking of electron spin to its momentum. Such materials are believed to exhibit a ${\bf E} \cdot {\bf B}$…

Fifteen parameters characterizing the crystal field of rare-earth ions in the RMO$_3$ perovskites (R = Pr, Nd, M = Ga, Co) are calculated by expanding the local Hamiltonian expressed in the basis of Wannier functions into a series of…

Whereas the majority of ions in the bulk of a solvent-free ionic liquid is bound into clusters, this is expected to change in the electrical double layer (EDL), in which the resulting electric field 'prefers' to interact with electrical…

Magnetic field is a powerful tool for the manipulation of material's electronic and optical properties. In the domain of transition metal dichalcogenide monolayers, it allows one to unveil the spin, valley, and orbital properties of…

A novel approach to investigation of correlation effects in the electronic structure of magnetic crystals which takes into account a frequency dependence of the self energy (so called ``LDA++ approach'') is developed. The fluctuation…

We study a mean-field relativistic model which is able to describe both the behavior of finitely many spin-1/2 particles like electrons and of the Dirac sea which is self-consistently polarized in the presence of the real particles. The…

The Dirac equation is invariant under rotations with a constant frequency and invariable cylindrical radius. 3D transformation for rotating frames is found with help of this invariance. Exact localized solutions of the Dirac equation in the…

The magnetic properties and phase diagrams of the mixed spin Ising model, with spins S=1 and {\sigma}=1/2 on a centered rectangular structure, have been investigated using Monte Carlo simulations based on the Metropolis algorithm. Every…

We present a simple exact analytical solution, using the Weyl-Titchmarsh-Kodaira spectral theorem, for the spectral function of the one-dimensional diatomic molecule model consisting of two attractive delta function wells in the presence of…

A method is described to model the magnetic field in the vicinity of constellations of multiple satellites using field and plasma current measurements. This quadratic model has the properties that the divergence is zero everywhere and…

We apply the first-principles density functional theory + dynamical mean field theory framework to evaluate the crystal field splitting on rare earth sites in hard magnetic intermetallics. An atomic (Hubbard-I) approximation is employed for…

We develop here a simple yet versatile model for nuclear fragmentation in heavy ion collisions. The model allows us to calculate thermodynamic properties such as phase transitions as well as the distribution of fragments at disassembly. In…

We derive an analytical theory for two interacting electrons in a $d$--dimensional random potential. Our treatment is based on an effective random matrix Hamiltonian. After mapping the problem on a nonlinear $\sigma$ model, we exploit…

Conventional phonon-electron interaction induces either triplet or one of two (degenerate) singlet pairing states in time reversal and inversion invariant 3D Dirac semi - metal. Investigation of the order parameters and energies of these…

A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical…