相关论文: Simple model for Crystal Field Theory
The stability of high vs. low spin states of transition metal complexes has been interpreted by ligand field theory, which is a perturbation theory of the electron-electron interaction. The present first principles calculation of a series…
Fracton phases of matter feature a variety of exciting phenomena stemming from the restricted mobility of their quasiparticles. Here we consider a model of interacting electrons in one dimension that describes hopping of spin-singlet pairs…
Exact solutions of the Dirac equation, a system of four partial differential equations, are rare. The vast majority of them are for highly symmetric stationary systems. Moreover, only a handful of solutions for time dependent dynamics…
We present a simplified model for dynamical diffraction of particles through a periodic thick perfect crystal based on repeated application of a coherent beam splitting unitary at coarse-grained lattice sites. By demanding translational…
We combined the group theory and data mining approach within the Organic Materials Database that leads to the prediction of stable Dirac-point nodes within the electronic band structure of 3-dimensional organic crystals. We find a…
We propose a framework to model elastic properties of polycrystals by coupling crystal orientational degrees of freedom with elastic strains. Our model encodes crystal symmetries and takes into account explicitly the strain compatibility…
This work explores a simple approximation to describe isolated impurity scattering in a strongly correlated metal. The approximation combines conventional one electron scattering theory and the Dynamic Mean Field Theory to describe strong…
It is shown that the geometry of multi-electron threshold ionization in atoms depends on the initial configuration of bound electrons. The reason for this behavior is found in the stability properties of the classical fixed point of the…
The choice that a solid system "makes" when adopting a crystal structure (stable or metastable) is ultimately governed by the interactions between electrons forming chemical bonds. By analyzing 6 prototypical binary transition-metal…
We present a simple model for chiral molecules which yields the frequency-dependent multipole-multipole polarizabilities required for calculating the dispersive van der Waals constants in a simple, closed, and consistent form. The model…
We propose and characterize a new $\mathbb{Z}_2$ class of topological semimetals with a vanishing spin--orbit interaction. The proposed topological semimetals are characterized by the presence of bulk one-dimensional (1D) Dirac Line Nodes…
A discrete model describing defects in crystal lattices and having the standard linear anisotropic elasticity as its continuum limit is proposed. The main ingredients entering the model are the elastic stiffness constants of the material…
We study the semiclassical dynamics of interacting electrons in a biased crystal lattice. A complex dynamical scenario emerges from the interplay between the Coulomb and the external electric fields. When the electrons are far apart, the…
A modification of structural phase-field crystal (XPFC) model for an arbitrary pair interaction potential is presented. Formation of 1D and 2D structures for the Lennard-Jones (LJ) potential was studied numerically. The equilibrium lattice…
The problem of constructing flexible stochastic models to describe the variability in shape of solid particles is challenging. Natural objects often exhibit mono- or multi-fractal features, i.e. irregular shapes and self-similar patterns.…
We use the linear $\sigma$ model to analyse the dynamics of a disoriented chiral condensate. For idealized boundary conditions appropriate to high energy collisions, the problem can be reduced to a one dimensional one. The evolution of the…
We study spreading dynamics of nematic liquid crystal droplets within the framework of the long-wave approximation. A fourth order nonlinear parabolic partial differential equation governing the free surface evolution is derived. The…
Orbital differentiation is a common theme in multiorbital systems, yet a complete understanding of it is still missing. Here, we consider a minimal model for orbital differentiation in Hund metals with a highly accurate method: We use the…
The electric or magnetic field of an ideal dipole is known to have a Dirac delta function at the origin. The usual textbook derivation of this delta function is rather ad hoc and cannot be used to calculate the delta-function structure for…
Ionic liquid ion sources are a promising technology that can be used for many applications from space propulsion to focused ion beam microetching. Ionic liquid ion sources produce ion beams by extracting single ions and metastable solvated…