Related papers: TDPAC and first-principles study of electronic and…
In this paper we investigate the effect of Cd doping at ultra-low concentrations in SnO$_2$ both experimentally, by measuring the temperature dependence of the electric quadrupole hyperfine interactions with time-differential perturbed…
Time-differential perturbed angular correlation (TDPAC) measurements have been carried out in stoichiometric ZrNi$_3$ and HfNi$_3$ intermetallic compounds using $^{181}$Ta probe in the temperature range 77-1073 K considering the immense…
The nuclear quadrupole interaction of the I=5/2 state of the nuclear probes 111Cd and 181Ta in the anatase and rutile polymorphs of bulk TiO2 was studied using the time differential perturbed angular correlation (TDPAC). The fast-slow…
Nuclear quadrupole interactions were measured at 111In/Cd probe atoms in rare-earth palladium phases RPd3 having the L12 structure using the technique of perturbed angular correlation of gamma rays (PAC). Measurements were made for pairs of…
The electrical field gradient (EFG), measured e.g. in perturbed angular correlation (PAC) experiments, gives particularly useful information about the interaction of probe atoms like 111In / 111Cd with other defects. The interpretation of…
Recently, the successful synthesis of the pentagonal form of PdTe$_{2}$ monolayer (\emph{p}-PdTe$_{2}$) was reported [Liu~\emph{et al.}, Nature Materials \textbf{23}, 1339 (2024)]. In this work, we present an extensive first-principles…
Perturbed angular correlation (PAC) measurements using the In-111 probe were carried out on FeGa3 as part of a broader investigation of indium site occupation and cadmium diffusion in intermetallic compounds. One PAC signal was observed…
Lattice locations of 111In impurity probe atoms in intermetallic GdNi2 were studied as a function of alloy composition and temperature using perturbed angular correlation spectroscopy (PAC). Three nuclear quadrupole interaction signals were…
Pd-Zn intermetallic catalysts show encouraging combinations of activity and selectivity on well-defined active site ensembles. Thermodynamic description of the Pd-Zn system, delineating phase boundaries, and enumerating site occupancies…
We examine the formulation and numerical treatment of dissipative particle dynamics (DPD) and momentum-conserving molecular dynamics. We show that it is possible to improve both the accuracy and the stability of DPD by employing a pairwise…
Frequency references based on solid state spins promise simplicity, compactness, robustness, multifunctionality, ease of integration, and high densities of emitters. Nitrogen-vacancy (NV) centers in diamond are a natural candidate, but the…
Discovering new thermoelectric (TE) materials is an eternal goal in the TE field. Excellent TE materials have ranged from 3D stacked to 2D stacked bulk. However, the 1D stacked receives little attention due to the scarcity in quantity. In…
Realistic prediction of the superconducting transition temperature (Tc) for PdH is a long-standing challenge, because it depends on robust calculations of the electron and phonon band structures to obtain the electron-phonon scattering…
Today's most sensitive experiments for detecting CP-violating permanent electric dipole moments (EDM) rely on molecular spectroscopy. The high sensitivity arises from large internal electric fields that interact with the constituents of the…
Dirac coupled channel calculations are performed phenomenologically for the high-lying excited states that belong to the 2$^+$ gamma vibrational band at the 800-MeV polarized proton inelastic scatterings from the s-d shell nuclei, $^{24}$Mg…
Inclusive energy distributions for light charged particles ($p, d, t$ and $\alpha$) have been measured in the $^{20}$Ne (158, 170, 180, 200 MeV) + $^{12}$C reactions in the angular range 10$^{o}$ -- 50$^{o}$. Exclusive light charged…
Recrystallized tungsten (W) samples were irradiated by 20 MeV self-ions at 1350 K to peak damage doses in the range of 0.001-2.3 dpa. The irradiation-induced defects were then decorated with deuterium (D) by a gentle D plasma exposure ($<5$…
A double-phase argon Time Projection Chamber (TPC), with an active mass of 185 g, has been designed and constructed for the Recoil Directionality (ReD) experiment. The aim of the ReD project is to investigate the directional sensitivity of…
We compare the predictions of the dynamic structure factor (DSF) of ambient polycrystalline aluminium from time-dependent density functional theory (TDDFT) in the pair continuum regime to recent ultrahigh resolution x-ray Thomson scattering…
Vertex corrections from the transversal particle-hole channel, so-called $\pi$-tons, are generic in models for strongly correlated electron systems and can lead to a displaced Drude peak (DDP). Here, we derive the analytical expression for…