Related papers: Understanding Cu Incorporation in the $\mathrm{Cu_…
The present work investigates the atomic interactions among Cu, Al, and Ni elements in bcc-iron matrix, focusing on the formation mechanism of nano-sized core-shell Cu precipitates. Using a combination of atom probe tomography (APT),…
X-ray-absorption fine-structure measurements of the local structure in UCu_4Pd are described which indicate a probable lattice-disorder origin for non-Fermi-liquid behavior in this material. Short Pd-Cu distances are observed, consistent…
The occupancy of the 4f^n contributions in the Kondo semiconductors CeM2Al10(M = Ru, Os and Fe) has been quantitatively determined by means of bulk-sensitive hard x-ray photoelectron spectroscopy (HAXPES) on the Ce 3d core levels. Combining…
The structural, elastic, electronic, Vickers-Hardness, vibrational, Optical and thermodynamical properties of potentially technologically significant superconductors CuRh2S4 and CuRh2Se4 have calculated using density functional theory (DFT)…
We report the growth temperature dependence of the properties of the group-IV-based ferromagnetic semiconductor Ge1-xFex films (x = 6.5% and 10.5%), including the lattice constant, Curie temperature (TC), and Fe-atom locations. While TC…
In-growth or post-deposition treatment of $Cu_{2}ZnSnS_{4}$ (CZTS) absorber layer had led to improved photovoltaic efficiency, however, the underlying physical mechanism of such improvements are less studied. In this study, the…
Former results for a Tight-Binding (TB) model of CuO planes in La2CuO4 are reinterpreted here to underline their wider implications. It is noted that physical systems being appropriately described by the TB model can exhibit the main…
Dispersion corrected density functional theory ($\omega$B97X-D DFT) method is used to study the molecular hydrogen adsorption in $Ni_nMg_m$ $(1\geq n\geq 3,1\geq m\geq9)$ clusters. All these clusters can effectively adsorb multiple $H_2$ in…
The intercalated two-dimensional (2D) transition metal dichalcogenides (TMDCs) have attracted much attention for their designable structure and novel properties. Among this family, host materials with low symmetry such as 1T' phase TMDCs…
Two-dimensional iron-chalcogenide intercalates display a remarkable correlation of the interlayer spacing with the enhancement of the superconducting critical temperature ($T_c$). In this work, synchrotron x-ray absorption ($XAS$, at Fe and…
Plutonium dihydride and trihydride show strikingly similar crystal structures when viewed as close-packed Pu planes with ABC and AB stacking, respectively. The similarity serves as a framework for density functional theory (DFT)…
In this paper, we discuss the atomistic structure of two conducting bridge computer memory materials, including Cu-doped alumina and silver-doped GeSe$_3$. We show that the Ag is rather uniformly distributed through the chalcogenide glass,…
We have investigated the effect of Cu substitution in Eu2(Ir1-xCux)2O7 with the help of magnetic and transport property measurements. XPS measurement reveals that each Cu2+ converts Ir4+ to double amount of Ir5+ ions. The metal-insulator…
The trapping mechanisms for hydrogen isotopes in Al-X Cu (0.0 at.% < X < 3.5 at.%) alloys were investigated using thermal desorption spectroscopy (TDS), electrical conductivity, and differential scanning calorimetry. Constant heating rate…
Cu2-xTe nanocubes were used as starting seeds to access metal telluride nanocrystals by cation exchanges at room temperature. The coordination number of the entering cations was found to play an important role in dictating the reaction…
The quantum Hall effect (QHE), which was observed in 2D electron gas under an external magnetic field, stands out as one of the most remarkable transport phenomena in condensed matter. However, a long standing puzzle remains regarding the…
The structure of amorphous Cu$_2$GeTe$_3$ is investigated by a combination of anomalous x-ray scattering and extended x-ray absorption fine structure experiments. The experimental data are analyzed with a reverse Monte Carlo modeling…
We computed the optical properties and the folded and unfolded band structure of Cu-doped KCl crystals. The calculations use the plane-wave pseudo-potential approach implemented in the ABINIT electronic structure package within the…
This study uses the density functional theory (DFT) approach with GGA-PBE to assess the effect of substituting alkali metals in Rb$_{2}$CaH and Cs-doped Rb$_{2}$CaH$_{4}$ on their hydrogen storage potential. To address the challenges…
We present a high-resolution photoemission study on the strongly correlated Ce-compounds CeCu_6, CeCu_2Si_2, CeRu_2Si_2, CeNi_2Ge_2, and CeSi_2. Using a normalization procedure based on a division by the Fermi-Dirac distribution we get…