相关论文: Dynamic structure factor of gold

We investigate the spin-2 chain model corresponding to the small hopping limit of the spin-2 Bose-Hubbard model using density-matrix renormalization-group and time-evolution techniques. We calculate both static correlation functions and the…

The effects of dynamic localization in a solid-state system -- a quantum dot -- are considered. The theory of weak dynamic localization is developed for non-interacting electrons in a closed quantum dot under arbitrary time-dependent…

We present an approach for calculating the electronic structure and transport properties of nanoscopic conductors that takes into account the dynamical correlations of strongly interacting d- or f-electrons by combining density functional…

Interfacing unbiased quantum Monte Carlo simulations with state-of-art analytic continuation techniques, we obtain exact numerical results for dynamical density and spin correlations in the attractive Hubbard model, describing a…

We introduce and analyze the properties of dynamical Franz-Keldysh effect, i.e. the change of density-of-states, or absorption spectra, of semiconductors under the influence of {\it time-dependent} electric fields. In the case of a harmonic…

We make use of the time-dependent density functional theory to derive a new formally exact expression for the dc resistivity of metals with impurities. This expression takes fully into account the dynamics of electron-electron interactions.…

The nonlinear optical properties and electro-optic effects of some oxygen-octahedric ferroelectrics are studied by the density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle…

We present a computational study for the equilibrium shape of gold nanoparticles. By linking extensive quantum-mechanical calculations, based on Density-Functional Theory (DFT) to Wulff construction, we predict equilibrium shapes that are…

In strongly correlated transition metal dichalcogenides, an intricate interplay of polaronic distortions, stacking arrangement, and electronic correlations determines the nature of the insulating state. Here, we study the response of the…

Simulations and diagnostics of high-energy-density plasmas and warm dense matter rely on models of material response properties, both static and dynamic (frequency-dependent). Here, we systematically investigate variations in dynamic…

The density of states (DOS) of graphene underneath a metal is estimated through a quantum capacitance measurement of the metal/graphene/SiO2/n+-Si contact structure fabricated by a resist-free metal deposition process. Graphene underneath…

We present an approach based on density-functional theory for the calculation of fundamental gaps of both finite and periodic two-dimensional (2D) electronic systems. The computational cost of our approach is comparable to that of total…

We report an ab initio evaluation of the surface energy of a simple metal, performed via a coupling-constant integration over the dynamical density-response function. The rapid rate of change of the electron density at the surface is…

We elucidate the role of magnon interaction and spontaneous decays in the spin dynamics of the triangular-lattice Heisenberg antiferromagnet by calculating its dynamical structure factor within the spin-wave theory. Explicit theoretical…

From numerical minimization of a model free energy functional for a system of hard spheres, we show that the width of the local peaks of the time-averaged density field at a glassy free-energy minimum exhibits large spatial variation,…

We describe the excitation spectrum of a two-component neutral Fermi gas in the superfluid phase at finite temperature by deriving a suitable Random-Phase approximation with the technique of functional derivatives. The obtained spectrum for…

The dynamic structure factor of a trapped Bose-Einstein condensed gas is investigated at zero temperature in the framework of Bogoliubov theory. Different values of momentum transfer are considered, ranging from the phonon to the…

We study the dynamic structure factor of a one-dimensional Bose gas confined in an optical lattice and modeled by the Bose-Hubbard Hamiltonian, using a variety of numerical and analytical approaches. The dynamic structure factor,…

We report on results of the first realistic electronic structure calculations of the Pu-based PuCoGa5 superconductor based on the dynamical mean field theory. We find that dynamical correlations due to the local Coulomb interaction between…

In the spirit of recently developed LDA+U and LDA+DMFT methods we implement a combination of density functional theory in its local density approximation (LDA) with a $k$- and $\omega -$dependent self-energy found from diagrammatic…