Local Disorder in Proton Conductor BaSn_0.5In_0.5O_2.75 Analyzed by Neutron Diffraction/ Atomic Pair Distribution Function

Local atomic strain in ZnSe1ÀxTex from high real-space resolution neutron pair distribution function measurements

High real-space resolution atomic pair distribution functions ~PDF’s! have been obtained from ZnSe12xTex using neutron powder diffraction. Distinct Zn-Se and Zn-Te nearest-neighbor ~nn! bonds, differing in length by Dr50.14 Å, are resolved in the measured PDF’s, allowing the evolution with composition of the individual bond lengths to be studied. The local bond lengths change much more slowly w...

Local Atomic Structure Analysis Using the Atomic Pair Distribution Method

Powder diffraction is a major component of any condensed matter scientist’s arsenal, providing the investigator a way to directly map the location of atoms inside of a material. The most common diffraction experiments provide insights into the average atomic structure of materials, which can break down when materials have lowered local symmetry, or are disordered. Analysis of the pair distribut...

Structure of nanocrystalline MgFe2O4 from X-ray diffraction, Rietveld and atomic pair distribution function analysis

Atomic pair distribution function analysis from the ARCS chopper spectrometer at the Spallation Neutron Source

Neutron powder diffraction based atomic pair distribution functions (PDFs) are reported from the new wide angular-range chopper spectrometer ARCS at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL). The spectrometer was run in white-beam mode with no Fermi chopper. The PDF patterns of Ni and Al2O3 were refined using the PDFfit method and the results compared to data c...

Atomic-scale structure of nanocrystalline CeO2–ZrO2 oxides by total x-ray diffraction and pair distribution function analysis

Total x-ray diffraction and atomic pair distribution function analysis have been used to determine the atomic ordering in nanocrystalline (∼1.5 nm in size) CeO2–ZrO2 prepared by a sol–gel route. Experimental data show that the oxides are a structurally and chemically inhomogeneous mixture of nanoscale domains with cubic-type and monoclinic-type atomic ordering, predominantly occupied by Ce and ...