Related papers: Understanding Cu Incorporation in the $\mathrm{Cu_…
High-performing thermoelectric materials such as Zn$_4$Sb$_3$ and clathrates have atomic disorder as the root to their favorable properties. This makes it extremely difficult to understand and model their properties at a quantitative level,…
The authors developed a new analysis technique for atomic disorder structures in full-Heusler alloys using x-ray diffraction (XRD) with Co-Ka and Cu-Ka sources. The developed technique can quantitatively evaluate all the atomic disorders…
By means of the first-principles density functional theory (DFT), I2-II-IV-VI4 type Cu-based quaternary chalcogenides Cu 2 XSiS 4 (X = Ge, Sn, and Pb) have been thoroughly investigated. We report the study of Ge and Sn substitution in the…
A filamentary composite elaborated by cold drawing was processed by High Pressure Torsion (HPT). The nanostructure resulting from this severe plastic deformation (SPD) was investigated thanks to scanning electron microscopy, transmission…
Based on the density functional theory with hybrid functional approach, we have studied the structural and thermodynamic stabilities of Cu2MSnX4 (M = Zn, Mg, and Ca; X = S and Se) alloy, and have further investigated the electronic and…
Samples of the Ru1-xFexSr2GdCu2O8 system with x = 0, 0.025, 0.05, 0.075, 0.1 and 0.2, were prepared and their structural, superconducting and magnetic properties were studied. Rietveld refinement of the X-ray diffraction patterns show that…
Resonant x-ray diffraction performed at the $\rm L_{II}$ and $\rm L_{III}$ absorption edges of Ru has been used to investigate the magnetic and orbital ordering in Ca$_2$RuO$_4$ single crystals. A large resonant enhancement due to electric…
We present a density functional study of the structural and electronic properties of small Cu_n (n=1,4) aggregates on defect-free MgO(100). The calculations employ a slab geometry with periodic boundary conditions, supercells with up to 76…
CO adsorption on Cu(111) and Cu(001) surfaces has been studied within ab-initio density functional theory (DFT). The structural, vibrational and thermodynamic properties of the adsorbate-substrate complex have been calculated. Calculations…
To reduce the prominent VOC-deficit that limits kesterite-based solar cells efficiencies, Ge has been proposed over the recent years with encouraging results, as the reduction of the non-radiative recombination rate is considered as a way…
Multi-component alloys offer broad tunability for addressing challenges in materials science, but their vast configurational space makes their surface chemistry highly sensitive to operating conditions, for example through adsorption and…
We report the successful synthesis of a new 4$d$ based polycrystalline inverse Heusler alloy Fe$_2$RuGe by an arc melting process and have studied in detail its structural, magnetic and transport properties complemented with first principle…
A weakening of superconductivity upon substitution of Cu by Zn (0.5~1 %) is observed in a high-T_c cuprate, Ca_{2-x}Na_xCuO2Cl2, near the hole concentration of 1/8 per Cu. The superconducting transition temperature and its volume fraction,…
Substitution of rare-earth ions for Ca in Bi2Sr2CaCu2O8+y is known to cause a metal-insulator transition. Using resonant photoemission we study how this chemical substitution affects the electronic structure of the material. For the partial…
New insight into the superconducting properties of HgBa2CuO4 (Hg-1201) cuprates is provided by combined measurements of the electrical resistivity and single crystal X-ray diffraction under pressure. The changes induced by increasing…
The superconducting properties of high-\tc\ materials are functions of carriers concentration, which is controlled by the concentration of defects including heterovalent cations, interstitial oxygen ions, and oxygen vacancies. Here we…
Metal intercalation into layered topological insulator materials such as the binary chalcogenide Bi2X3 (X=Te or Se) has yielded novel two-dimensional electron-gas physics, phase transitions to superconductivity, as well as interesting…
It is well established that the hole density in the prototypical superconductor La$_{2-x}$Sr$_x$CuO$_4$ is very inhomogeneous due to Sr-dopant induced disorder. On the other hand, until recently it is widely believed that the hole…
We have prepared samples of nominal type Ba(8)Cu(x)Ge(46-x) by induction melting and solid state reaction. Analysis shows that these materials form type-I clathrates, with copper content between x = 4.9 and 5.3, nearly independent of the…
The study of the Cu-Sn-In ternary system has become of great importance in recent years, due to new environmental regulations forcing to eliminate the use of Pb in bonding technologies for electronic devices. A key relevant issue concerns…