Related papers: Dynamic structure factor of gold
We provide a description of the dynamic structure factor of a homogeneous unitary Fermi gas at low momentum and low frequency, based on the dissipative two-fluid hydrodynamic theory. The viscous relaxation time is estimated and is used to…
We present a modeling of the nonlinear optical response of a metal surface in order to account for recent experimental results from two-color Sum-Frequency Generation experiments on gold. The model allows calculating the surface and bulk…
We present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities $v = 0.02-10~\mathrm{a.u.}$ where we take into account non-linear effects. Time-dependent density functional theory…
The purpose of this work was to calculate the electronic band structure of Cd$_{1-x}$Fe$_x$Se. Ab-initio, calculations are performed in the Atomistix Toolkit program within the Density Functional Theory and Local Spin Density Approximation…
We investigate charge fluctuations in the two-dimensional Hubbard model as a function of doping, interaction strength, next-nearest-neighbor hopping, and temperature within the eight-site dynamical cluster approximation. In the regime of…
Recent density functional theory (DFT) calculations for KFe2As2 have shown to be insufficient to satisfactorily describe angle-resolved photoemission (ARPES) measurements as well as observed de Haas van Alphen (dHvA) frequencies. In the…
The density of electronic states for bulk metals Au and Pd, their surfaces in the form of polycrystalline surface layers of nanometer thickness is investigated. The calculations were performed using density functional theory with…
In the nonrelativistic approximation of fluctuation electrodynamics, using the specular reflection model and the nonlocal dielectric permittivity of a metal, we obtained simple analytical expressions for the friction forces in the…
We show an $\textit{ab initio}$ construction of the energy density functional (EDF) for electron systems using the functional renormalization group. The correlation energies of the homogeneous electron gas given in our framework reproduce…
Scattering by slowly fluctuating degrees of freedom can cause a transient localization of the current-carrying electrons in metals, driving the system away from normal metallic behavior. We illustrate and characterize this general…
The bandgap constitutes a challenging problem in density functional theory (DFT) methodologies. It is known that the energy gap values calculated by common DFT approaches are underestimated. The bandgap was also found to be related to the…
We have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular dynamics based on time-dependent density…
In civil, mechanical, and aerospace engineering, structural dynamics is commonly understood to be a discipline concerned with the analysis and characterization of the vibratory response of structures. Key elements of the response are the…
The dynamical structure factor (DSF) represents a measure of dynamical density-density correlations in a quantum many-body system. Due to the complexity of many-body correlations and quantum fluctuations in a system of an infinitely large…
We calculate the 2-triplon contribution to the dynamic structure factor of the 2-dimensional Shastry-Sutherland model, realized in SrCu2(BO3)2, by means of perturbative continuous unitary transformations. For realistic parameters we find…
Conceiving a molecule as composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences, and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient…
A thin flat rectangular plate supported on its edges and subjected to in-plane loading exhibits stable post-buckling behaviour. However, the introduction of a nonlinear (softening) elastic foundation may cause the response to become…
Understanding the local structure of water at the interfaces of metallic electrodes is a key problem in aqueous-based electrochemistry. Nevertheless, a realistic simulation of such setup is challenging, particularly when the electrodes are…
We report a study on the static and dynamic properties of several liquid 5$d$ transition metals at thermodynamic conditions near their respective melting points. This is performed by resorting to ab initio molecular dynamics simulations in…
The electronic structure of a single monatomic gold wire is presented for the first time. It has been obtained with state-of-the-art ab-initio full-potential density-functional (DFT) LMTO (linearized muffin-tin orbital) calculations taking…