Related papers: Unexpected coexisting solid solutions in the quasi…
An intriguingly complex phase diagram of Na-doped SrFe2As2 is uncovered using high-resolution thermal-expansion, magnetization and heat-capacity measurements. The detailed temperature dependence of the orthorhombic distortion and the…
We study the effects of electron-electron interactions and hole doping on the electronic structure of Cu-doped NaFeAs using the density functional theory plus dynamical mean-field theory (DFT+DMFT) method. In particular, we employ an…
High pressure in-situ synchrotron X-ray diffraction experiments were performed on Ag2Te up to 42.6 GPa at room temperature and four phases were identified. Phase I ({\beta}-Ag2Te) transformed into phase II at 2.4 GPa, and phase III and…
The phase diagram of Al-Li-Cu system in the Al-rich region was determined by means of first-principles calculations and statistical mechanics. The mixing enthalpies of many configurations for different lattices in the whole Al-Li-Cu system…
The effect of Cu substitution on the stability of the CuMnAs tetragonal phase was studied both experimentally and by ab initio calculations. Polycrystalline samples with various compositions Cu$_{1+x}$Mn$_{1-x}$As $(x = 0 - 0.5)$ were…
We report a computational survey of chemical doping of silver(II) fluoride, an oxocuprate analog. We find that the ground-state solutions exhibit strong tendency for localization of defects and for phase separation. The additional…
The resistive response of Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ to AC mechanical deformation is considered in the multi-domain state. This resistance change depends both upon the anelastic relaxation of domain walls and upon the relation…
The influence of Fe content on the three-dimensional (3D) morphology of Fe-rich intermetallic phases (Fe phases), Al2Cu, and pores and mechanical properties of cast Al-5.0Cu-0.6Mn alloys with 0.5 and 1.0 wt. % Fe are characterized using…
We report anisotropic dc magnetic susceptibility $\chi(T)$, electrical resistivity $\rho(T)$, and heat capacity $C(T)$ measurements on the single crystals of CaFe$_{2-x}$Co$_x$As$_2$ for $x$ = 0 and 0.06. Large sized single crystals were…
The anisotropic electronic structure responsible for the antiferromagnetic transition in CeRu$_2$Al$_{10}$ at the unusually high temperature of $T_0$ = 28 K was studied using optical conductivity spectra, Ce 3d X-ray photoemission spectra,…
First principles density functional theory calculations within the GGA+U approximation were performed for LiMn$_{1-x}$M$_x$O$_{2}$, a candidate cathode material for lithium-ion batteries, with ($x=0.25$, M=Ni, Fe, Co, Mg), to investigate…
AlFe$_2$B$_2$, a ternary transition metal boride doped with Ag, Ni, Sb, Ga, and Ge was investigated for the phase constituents, microstructure, and thermoelectric properties. The parent compound with 20\% excess Al (Al$_{1.2}$Fe$_2$B$_2$)…
A comparative computational study of stability of candidate structures for an as yet unknown silver dichloride AgCl2 is presented. It is found that all considered candidates have a negative enthalpy of formation, but are unstable towards…
Systematic measurements of the resistivity, heat capacity, susceptibility and Hall coefficient are presented for single crystal samples of the electron-doped superconductor Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$. These data delineate an $x-T$ phase…
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…
In order to improve the hydrogen storage properties of calcium hydride (CaH2), we have tuned its thermodynamical properties through fluorination. Using ab-initio total energy calculations based on density functional theory, the structural…
We have grown single crystal samples of Co substituted CaFe2As2 using an FeAs flux and systematically studied the effects of annealing/quenching temperature on the physical properties of these samples. Whereas the as-grown samples (quenched…
Single crystals of Ca1-xLaxFe2As2 for x ranging from 0 to 0.25 have been grown and characterized by structural, transport and magnetic measurements. Coexistence of two superconducting phases is observed, in which the low superconducting…
A Neutron Powder Diffraction (NPD) experiment has been performed to investigate the structural phase transition and magnetic order in CaFe1-xCoxAsF superconductor compounds (x = 0, 0.06, 0.12). The parent compound CaFeAsF undergoes a…
Single phase, sol-gel prepared Cu1-xFexO (0<x<0.125) are characterized in terms of structural, electronic and magnetic properties. Using dielectric and magnetic studies we investigate the coupling of electron and spin. The electrical…