Related papers: Dynamic structure factors of Cu, Ag, and Au: A com…
We employ first-principles density functional theory (DFT) calculations to investigate the structural, electronic, and catalytic properties of biphenylene supported on various metal substrates. The substrates considered are the (111)…
One key difference in current energy loss models lies in the treatment of the Altarelli-Parisi, AP, splitting functions. It has been shown that the shared momentum fraction, henceforth called Jet Splitting Function $z_g$ as determined by…
We show that the exact exchange-correlation potential of time-dependent density-functional theory displays dynamical step structures that have a spatially non-local and time non-local dependence on the density. Using one-dimensional…
We give a summary of recent progress in the field of electronic structure calculations for materials with strong electronic Coulomb correlations. The discussion focuses on developments beyond the by now well established combination of…
Low-dimensional electron systems often show a delicate interplay between electron-phonon and electron-electron interactions, giving rise to interesting quantum phases such as the charge density wave (CDW) and magnetism. Using the…
Dynamic magnetic response in a trilayered structure with non-equivalent layers (ABA type) has been studied with Monte Carlo simulation using Metropolis algorithm. In each layer, ferromagnetic (FM) nearest neighbour Ising interactions are…
We show that the correlations of electrons with a fixed energy in metals have very anomalous time and space dependences. Due to soft modes that exist in any Fermi liquid, combined with the incomplete screening of the Coulomb interaction at…
Measurements of longitudinal flow decorrelations for charged particles are presented in the pseudorapidity range $|\eta| < 1$ using a reference detector at 2.1 $< |\eta_{\mathrm{ref}}| <$ 5.1 in Au+Au collisions at $\sqrt{s_{NN}}$ = 27 GeV…
In this work, we perform a model-to-data comparison for U+U and Au+Au collisions performed at RHIC at $\sqrt{s_{\rm NN}}$ = $193$ GeV and $200$ GeV, using a multistage framework. Model calculations for various configurations of $^{238}$U…
We report a density functional theory (DFT) study of Ag3Co(CN)6, a material noted for its colossal positive and negative thermal expansion, and its giant negative linear compressibility. Here we explicitly include the dispersive interaction…
In this paper we study the energy loss of jets in the QGP via the nuclear modification factor $R_{\textrm{AA}}$ for unidentified particles at high $p_{\textrm{T}}$ ($\gtrsim 10 \textrm{GeV}/c$) in and out of the reaction plane of the…
A set of density functionals coming from different rungs on Jacob's ladder are employed to evaluate the electronic excited states of three Ru(II) complexes. While most studies on the performance of density functionals compare the vertical…
Heavy-flavor quarks are dominantly produced in initial hard scattering processes and experience the whole evolution of the system in heavy-ion collisions at RHIC energies. Thus they are suggested to be an excellent probe to the medium…
we present the temperature-dependent elastic constants of two ductile rare-earth intermetallic compounds YAg and YCu with CsCl-type B2 structure by using a first-principles approach. The elastic moduli as a function of temperature are…
The simultaneous influence of electronic correlations and magnetic ordering on the theoretical estimation of phonons and related properties of Ni is investigated. The work includes a comparative DFT and DFT+U study, where on-site Coulomb…
We present the combination of Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) for computing the electron transmission through two-terminals nanoscale devices. The method is then applied to metallic junctions…
Conductance histograms are a valuable tool to study the intrinsic conduction properties of metallic atomic-sized contacts. These histograms show a peak structure, which is characteristic of the type of metal under investigation. Despite the…
The phenomenon of centrality scaling in the high-\pt spectra of $\pi^0$ produced in Au-Au collisions at $\sqrt s=200$ GeV is examined in the framework of relating fractional energy loss to fractional centrality increase. A new scaling…
We study the spectral width as a function of the external momentum for the dynamical structure factor of a disordered harmonic solid, considered as a toy model for supercooled liquids and glasses. Both in the context of single-link coherent…
One key difference in current energy loss models lies in the treatment of the Altarelli-Parisi, AP, splitting functions. It has been shown that the shared momentum fraction, henceforth called Jet Splitting Function $z_g$ as determined by…