Related papers: Study of anharmonicity in Zirconium Hydrides using…
The improved two-scale model with symmetric Lund distribution function is used to perform the fit to the semi-inclusive deep-inelastic scattering (SIDIS) data on nuclear targets of HERMES experiment at DESY. The ratio of hadron multiplicity…
We present a simple and efficient method to incorporate anharmonic effects in the vibrational \textcolor{black}{analyses} of molecules within density functional theory (DFT) calculations. This approach is closely related to the traditional…
At ambient pressure, bulk 2H-NbS$_2$ displays no charge density wave instability at odds with the isostructural and isoelectronic compounds 2H-NbSe$_2$, 2H-TaS$_2$ and 2H-TaSe$_2$, and in disagreement with harmonic calculations.…
We report an experimental assessment of surface kinetic roughening properties that are anisotropic in space. Working for two specific instances of silicon surfaces irradiated by ion-beam sputtering under diverse conditions (with and without…
Zirconolite, CaZrTi2O7, is a proposed ceramic for the use in disposal of highly active nuclear waste. Density functional theory (DFT) has been used, in conjunction with a random search technique, to identify the stable interstitial sites…
Polarization dependent x-ray absorption spectroscopy was used to study the magnetic ground state and the orbital occupation in bulk-phase VI$_3$ van der Waals crystals below and above the ferromagnetic and structural transitions. X-ray…
Structural, mechanical, electronic, and thermodynamic properties of fluorite and tetragonal phases of ZrH$_{2}$ are systematically studied by employing the density functional theory within generalized gradient approximation. The existence…
Inelastic neutron scattering provides a powerful probe of the magnetic excitations of quantum magnets. Altermagnets have recently emerged as a new class of magnets with vanishing net magnetization characteristic of antiferromagnets and with…
Magnetic excitations in \srruo ~ have been studied by inelastic neutron scattering. The magnetic fluctuations are dominated by incommensurate peaks related to the Fermi surface nesting of the quasi-one-dimensional $d_{xz}$- and…
Local symmetry breaking in complex materials is emerging as an important contributor to materials properties but is inherently difficult to study. Here we follow up an earlier structural observation of such a local symmetry broken phase in…
Inelastic light scattering from electrons is a symmetry-selective probe of the charge dynamics within correlated materials. Many measurements have been made on correlated insulators, and recent exact solutions in large dimensions explain a…
The distribution of the azimuthal angle of charged and neutral hadrons relative to the lepton plane has been studied for neutral current deep inelastic $ep$ scattering using an integrated luminosity of 45 pb-1 taken with the ZEUS detector…
We review recent developments in the study of deep inelastic scattering from light nuclei, focusing in particular on deuterium, helium, and lithium. Understanding the nuclear effects in these systems is essential for the extraction of…
Palladium hydrides exhibit the largest isotope-effect anomaly in superconductivity: replacing hydrogen with heavier isotopes increases the superconducting critical temperature. Although this behavior is commonly attributed to strong…
Lattice anharmonicity is thought to strongly affect vacancy concentrations in metals at high temperatures. It is however non-trivial to account for this effect directly using density functional theory (DFT). Here we develop a deep neural…
We have implemented a generic method, based on the 2n+1 theorem within density functional perturbation theory, to calculate the anharmonic scattering coefficients among three phonons with arbitrary wavevectors. The method is used to study…
In studies of dynamical systems, helium atoms scatter coherently from an ensemble of adsorbates as they diffuse on the surface. The results give information on the co-operative behaviour of interacting adsorbates and thus include the…
Inspired by the studies on the influence of transition metal impurities in high Tc superconductors and what is already known about nonmagnetic suppression of Tc in unconventional superconductors, we set out to investigate the behavior of…
Metal halide perovskites have shown great performance as solar energy materials, but their outstanding optoelectronic properties are paired with unusually strong anharmonic effects. It has been proposed that this intriguing combination of…
We present neutron total scattering and density functional theory studies on quasi-one-dimensional superconducting K$_2$Cr$_3$As$_3$ revealing a frustrated structural instability. Our first principles calculations find a significant phonon…