Related papers: Dynamic structure factors of Cu, Ag, and Au: A com…
We present measurements of net charge fluctuations in $Au + Au$ collisions at $\sqrt{s_{NN}} = $ 19.6, 62.4, 130, and 200 GeV, $Cu + Cu$ collisions at $\sqrt{s_{NN}} = $ 62.4, 200 GeV, and $p + p$ collisions at $\sqrt{s} = $ 200 GeV using…
We have studied the trends in CO adsorption on close-packed metal surfaces: Co, Ni, Cu from the 3d row, Ru, Rh, Pd, Ag from the 4d row and Ir, Pt, Au from the 5d row using density functional theory. In particular, we were concerned with the…
We theoretically investigate the dynamic structure factor of a strongly interacting Fermi gas at the crossover from Bardeen-Cooper-Schrieffer superfluids to Bose-Einstein condensates, by developing an improved random phase approximation…
The first part of this article centers on the fact that key features of the dynamical response of weakly-correlated materials (the alkalis, Al), have been found experimentally to differ qualitatively from simple-model behavior. In the…
We present measurements of net charge fluctuations in $Au + Au$ collisions at $\sqrt{s_{NN}} = $ 19.6, 62.4, 130, and 200 GeV, $Cu + Cu$ collisions at $\sqrt{s_{NN}} = $ 62.4, 200 GeV, and $p + p$ collisions at $\sqrt{s} = $ 200 GeV using…
Our ab initio calculations of CO adsorption energies on low miller index (111), (100), stepped (211), and kinked (532) gold surfaces show a strong dependence on local coordination with a reduction in Au atom coordination leading to higher…
We present an all-electron study of the dynamical density-response function of hexagonal close-packed transition metals Sc and Ti. We elucidate various aspects of the interplay between the crystal structure and the electron dynamics by…
Au-Fe alloys are of immense interest due to their biocompatibility, anomalous hall conductivity, and applications in various medical treatment. However, irrespective of the method of preparation, they often exhibit a high-level of disorder,…
We perform an {\it ab initio} modeling of amorphous copper-doped alumina (a-Al$_2$O$_3$:Cu), a prospective memory material based on resistance switching, and study the structural origin of electronic conduction in this material. We generate…
Two-dimensional (2D) metallic lattices with kagome topology provide a unique platform for exploring the interplay between geometric frustration, reduced coordination, and lattice stability in elemental systems. Motivated by the recent…
We study the quantum hard-rods model and obtain compact analytical expressions for density form factors, and a semi-analytical treatment for dynamic and static structure factors calculations, greatly reducing computational complexity. We…
We present a comparative electronic structure study using DFT and various beyond-DFT (DFT+$U$, $G_0W_0$, DFT+DMFT) methods for ferromagnetic Iron (Fe) to find better approach for describing the spectral properties of correlated magnetic…
We present results of ab initio theoretical investigations of the excitation spectra of correlated electrons in metals (Al, K, and Li) and their interplay with inelastic scattering experiments. We resolve various anomalies contained in the…
Structure factors obtained from diffraction experiments are one of the most important quantities for characterizing the electronic and structural properties of materials. Methods for calculating this quantity from plane-wave density…
The influence of correlation effects on the orbital moments for transition metals and their alloys is studied by first-principle relativistic Density Functional Theory in combination with the Dynamical Mean-Field Theory. In contrast to the…
The first principles momentum dependent local ansatz wavefunction method (MLA) has been extended to the ferromagnetic state by introducing spin-dependent variational parameters. The theory is applied to the ferromagnetic Fe, Co, and Ni. It…
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…
Recent experiments on nanoclusters of silver (Ag) embedded in a gold (Au) matrix reveal a huge increase in both the zero temperature resistivity and the coefficient of the ``$T$ linear'' thermal resistivity with increasing volume fraction…
The ground state energies of Ag and Au in the face-centered cubic (FCC), body-centered cubic (BCC), simple cubic (SC) and the hypothetical diamond-like phase, and dimer were calculated as a function of bond length using density functional…
The PHOBOS collaboration has measured transverse momentum distributions of charged hadrons produced in Cu+Cu collisions at sqrt(s_(NN)) = 200 and 62.4 GeV. The nuclear modification factor R_(AA)^(Npart) is calculated relative to p+p data at…