Related papers: Local structural studies of Ba$_{1-x}$K$_x$Fe$_2$A…
We report on the combined experimental and theoretical analysis of the microwave-frequency electromagnetic response of BaFe2As2 single crystals with different substitutions: K in the Ba site (hole doping), Co in the Fe site (electron…
X-ray and neutron powder diffraction data as a function of temperature are analyzed for the colossal dielectric constant material CaCu3Ti4O12. The local structure is studied using atomic pair distribution function analysis. No evidence is…
A true understanding of the properties of pnictide superconductors require the development of high-quality materials and performing measurements designed to unravel their intrinsic properties and short-range nematic correlations which are…
We study the diamagnetism induced by thermal fluctuations above the superconducting transition of the iron pnictide Ba(Fe$_{1-x}$Ni$_x$)$_2$As$_2$ with different doping levels. The measurements are performed with magnetic fields up to 7 T…
Measurements of the anisotropic properties of single crystals play a crucial role in probing the physics of new materials. Determining a growth protocol that yields suitable high-quality single crystals can be particularly challenging for…
Neutron diffraction measurements of a high quality single crystal of CaFe2As2 are reported. A sharp transition was observed between the high temperature tetragonal and low temperature orthorhombic structures at TS = 172.5K (on cooling) and…
We report on the first local atomic structure study via the pair density function (PDF) analysis of neutron diffraction data and show a direct correlation of local coordinates to TC in the newly discovered superconducting FeSe1-xTex. The…
We present a calorimetric study on single crystals of Ca(Fe1-xCox)2As2 (x = 0, 0.032, 0.051, 0.056, 0.063, and 0.146). The combined first order spin-density wave/structural transition occurs in the parent CaFe2As2 compound at 168 K and…
A new method is presented for measuring terms in the elastoresistivity tensor $m_{ij}$ of single crystal samples with tetragonal symmetry. The technique is applied to a representative underdoped Fe-arsenide,…
The structural and electronic properties of La$_{2-x}$Ba$_x$CuO$_4$ were investigated as a function of Ba-concentration $0 \leq x \leq 1.2$, within the virtual crystal approximation (VCA) by means of first-principles total-energy…
The local structure and electronic properties of Rb$_{1-x}$Fe$_{2-y}$Se$_2$ are investigated by means of site selective polarized x-ray absorption spectroscopy at the iron and selenium K-edges as a function of pressure. A combination of…
We report an anomalous local structural response in the CuO2 planes associated with the appearance of charge inhomogeneities at low temperature in underdoped but superconducting La2-x(Sr,Ba)xCuO4. We used pair distribution function analysis…
We report the results of a systematic investigation of the phase diagram of the iron-based superconductor, Ba1-xKxFe2As2, from x = 0 to x = 1.0 using high resolution neutron and x-ray diffraction and magnetization measurements. The…
Neutron and x-ray total scattering measurements have been performed on powder samples of the iron chalcogenide superconductor FeSe. Using pair distribution function (PDF) analysis of the total scattering data to investigate short-range…
We have investigated low-temperature crystal structure of BiCh2-based compounds LaO1-xFxBiSSe (x = 0, 0.01, 0.02, 0.03, and 0.5), in which anomalous two-fold-symmetric in-plane anisotropy of superconducting states has been observed for x =…
With the use of {\em ab initio} based molecular dynamics simulations we study the structural, dynamical and electronic properties of glassy g-GeS$_2$ at room temperature. From the radial distribution function we find nearest neighbor…
We present an experimental study of the local and collective magnetism of $\mathrm{EuFe_2As_2}$, that is isostructural with the high temperature superconductor parent compound $\mathrm{BaFe_2As_2}$. In contrast to $\mathrm{BaFe_2As_2}$,…
The local structure of correlated spin-orbit insulator Sr$_{2-x}$M$_x$IrO$_4$ (M = K, La) has been investigated by Ir L$_3$-edge extended x-ray absorption fine structure measurements. The measurements were performed as a function of…
By carefully choosing parameters and including more semi-core orbitals as valence electrons, we have constructed a high quality projected augmented wave (PAW) dataset that yields results comparable to existing full-potential linearized…
The {57}Fe-specific phonon density of states of Ba(Fe(1-x)Co(x))2As2 single crystals (x=0.0, 0.08) was measured at cryogenic temperatures and at high pressures with nuclear-resonant inelastic x-ray scattering. Measurements were conducted…