Related papers: Crystal structure, local structure, and defect str…

Motivated by the experimental synthesis of two-dimensional (2D) perovskite materials, we study the stability of 2D SrTiO$_3$ from first principles. We find that the TiO$_6$ octahedral rotations emerge in 2D SrTiO$_3$ with a rotation angle…

The effect of Sr doping in BaTiO3 (BTO) with nominal compositions Ba0.80Sr0.20TiO3 (BSTO) have been explored in its structural, lattice vibration, dielectric, ferroelectric and electrocaloric properties. The temperature dependent dielectric…

Solid solutions of (1-x)LaFeO3-(x)PbTiO3 (0<x<1) have been prepared by conventional solid-state reaction. These complex perovskites have been studied by means of X-ray (XRPD) and neutron powder (NPD) diffraction, complemented with…

A new series of cubic double perovskites Ba$_2R_{2/3}$TeO$_6$ ($R$ = Y, La, Pr, Nd, Sm-Lu) was synthesized via solid state reaction. The $R^{3+}$ and Te$^{6+}$ ions are ordered on alternating octahedral sites, with the rare earth sites 2/3…

Structural, vibrational and dielectric properties of (Pb1-xBix)(Ti1-xMnx)O3 (PBTM) (0 x 0.50) polycrystalline ceramics have been examined as a function of temperature. Synchrotron-based powder x-ray diffraction was employed to confirm phase…

Near or less than 10% Nb substitution on the Ti site in perovskite SrTiO$_3$ results in metallic behavior, in contrast to what is seen in BaTiO$_3$. Given the nearly identical structure and electron counts of the two materials, the distinct…

The cubic perovsike strontium titanate SrTiO$_3$ (STO) is one of the most studied, polarizable transition metal oxides. When excess charge is introduced to this material, e.g., through doping or atomic defects, STO tends to host polarons:…

Neutron diffraction for a polycrystalline sample of LaCo$_{0.8}$Rh$_{0.2}$O$_{3}$ and synchrotron x-ray diffraction for polycrystalline samples of LaCo$_{0.9}$Rh$_{0.1}$O$_{3}$ and LaCo$_{0.8}$Rh$_{0.2}$O$_{3}$ have been carried out in…

Full pattern Le-Bail refinement using x-ray powder diffraction profiles of Sr1-xCaxTiO3 for x=0.02, 0.04 in the temperature range 12 to 300 K reveals anomalies in the unit cell parameters at 170, 225 K due to an antiferrodistortive (cubic…

We investigate the mechanism of the resonant X-ray scattering on the Ti $K$ edge region of YTiO$_3$ using the band structure calculation combined with the local density approximation. A large intensity is obtained for the orbital…

The local environment and oxidation state of Mn impurity in strontium titanate doped with 3% Mn were studied by X-ray absorption fine structure spectroscopy. The influence of the preparation conditions on the incorporation of the impurity…

X-ray absorption spectroscopy was used to study the microscopic origin of conductance and resistive switching in chromium doped strontium titanate (Cr:SrTiO3). Differences in the x-ray absorption near edge spectroscopy (XANES) at the Cr…

In contrast to the previous reports that the divalent perovskite SrCrO$_3$ was believed to be cubic structure and nonmagnetic metal, recent measurements suggest coexistence of majority tetragonally distorted weak antiferromagnetic phase and…

We present K-edge XAFS (X-Ray Absorption Fine Structure) data for various concentrations of Pr in Y$_{1- x}$Pr$_{x}$Ba$_{2}$Cu$_{3}$O$_{7}$. The character of the Pr K-edge XAFS data indicate that most of the Pr substitutes onto the Y site…

The synthesis conditions of SrTiO$_3$(Co) samples in which cobalt predominantly enters the $A$ or $B$ sites of the perovskite $AB$O$_3$ structure are found. EXAFS studies show that the Co impurity at the $A$ site is off-center and is…

The growth of SrRuO$_3$ (SRO) thin film with high-crystallinity and low residual resistivity (RR) is essential to explore its intrinsic properties. Here, utilizing the adsorption-controlled growth technique, the growth condition of initial…

While the tetragonal antiferro-electrically distorted (AFD) phase with space group $I4/mcm$ is well known for SrTiO$_3$ to occur below 105 K, there are also some hints in literature of an orthorhombic phase, either at lower temperature at…

We present an investigation of the near-surface tetragonal phase transition in SrTiO3, using the complementary techniques of beta-detected nuclear magnetic resonance and grazing-incidence X-ray diffraction. The results show a clear depth…

Through powder x-ray diffraction we have investigated the structural behavior of SmVO3, in which orbital and magnetic degrees of freedom are believed to be closely coupled to the crystal lattice. We have found, contrary to previous reports,…

We report on the crystallographic information such as lattice parameters, atomic positions, bond lengths and angles, and local crystalline distortion size and mode of single-crystal YCrO$_3$ compound by a high-resolution synchrotron X-ray…