Rapid-acquisition pair distribution function (RA-PDF) analysis

Chupas, Peter J.; Qiu, Xiangyun; Hanson, Jonathan C.; Lee, Peter L.; Grey, Clare P.; Billinge, Simon J. L.

doi:10.1107/s0021889803017564

Cited by 554 publications

(546 citation statements)

References 22 publications

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“…Le Bail 38 fits to the intensity profiles were performed with GSAS 44 on the EXPGUI platform 45 . Pair distribution function (PDF) profiles were obtained by Fourier transforming the measured total scattering intensity up to a maximum momentum transfer of Q max ¼ 24 Å À 1 using established protocols 46,47 as implemented in the programme PDFgetN 48 . The Le Bail fits were used to extract lattice parameters and space-group symmetry, the PDF fits to extract atomic displacement parameters.…”

Section: Methodsmentioning

confidence: 99%

Intra-unit-cell nematic charge order in the titanium-oxypnictide family of superconductors

Frandsen

Božin

et al. 2014

Nat Commun

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Understanding the role played by broken-symmetry states such as charge, spin and orbital orders in the mechanism of emergent properties, such as high-temperature superconductivity, is a major current topic in materials research. That the order may be within one unit cell, such as nematic, was only recently considered theoretically, but its observation in the iron-pnictide and doped cuprate superconductors places it at the forefront of current research. Here, we show that the recently discovered BaTi 2 Sb 2 O superconductor and its parent compound BaTi 2 As 2 O form a symmetry-breaking nematic ground state that can be naturally explained as an intra-unit-cell nematic charge order with d-wave symmetry, pointing to the ubiquity of the phenomenon. These findings, together with the key structural features in these materials being intermediate between the cuprate and iron-pnictide hightemperature superconducting materials, render the titanium oxypnictides an important new material system to understand the nature of nematic order and its relationship to superconductivity.

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Section: Methodsmentioning

confidence: 99%

Intra-unit-cell nematic charge order in the titanium-oxypnictide family of superconductors

Frandsen

Božin

et al. 2014

Nat Commun

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“…36,37 One-dimensional diffraction data were obtained by integrating the raw 2D total scattering data in Fit2D. 38 Pair distribution functions (PDFs) G(r)…”

Section: Nanoparticle Characterizationsmentioning

confidence: 99%

How Should Iron and Titanium be Combined in Oxides to Improve Photoelectrochemical Properties?

et al. 2016

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We discuss here for the first time how to combine iron and titanium metal ions to achieve a high photo-electrochemical activity for TiO 2 -based photo-anodes in water splitting devices. To do so, a wide range of photoelectrode materials with tailored Ti/Fe ratio and element vicinity were synthesized by using the versatility of aqueous sol-gel chemistry in combination with a microwave-assisted crystallization process. At low ferric concentrations, single phase TiO 2 anatase doped with various Fe amounts were prepared. Strikingly, at higher ferric concentrations, propose that the nature of the heterojunction impacts charge carrier recombination. The results presented herein not only answer whether iron and titanium should be combined in the same structure or into heterostructured systems, but also on the importance of the arrangement of ions in the structure to improve the performances of the photoanode.

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“…The camera was mounted orthogonally to the beam path with a sample-to-detector distance of 208.86 mm which was determined by calibrating with a silicon standard sample. 12 In order to avoid saturation of the detector, each measurement was carried out by multiple exposure to the xrays. Each exposure lasted 10 seconds, and each sample was exposed five times to improve the counting statistics.…”

Section: B High Energy X-ray Diffraction Experimentsmentioning

confidence: 99%

Nanoscale clusters in the high performance thermoelectricAgPbmSbTem+2

et al. 2005

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The local structure of the AgPbmSbTem+2 series of thermoelectric materials has been studied using the atomic pair distribution function (PDF) method. Three candidate-models were attempted for the structure of this class of materials using either a one-phase or a two-phase modeling procedure. Combining modeling the PDF with HRTEM data we show that AgPbmSbTem+2 contains nanoscale inclusions with composition close to AgPb3SbTe5 randomly embedded in a PbTe matrix.

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Rapid-acquisition pair distribution function (RA-PDF) analysis

Cited by 554 publications

References 22 publications

Intra-unit-cell nematic charge order in the titanium-oxypnictide family of superconductors

Intra-unit-cell nematic charge order in the titanium-oxypnictide family of superconductors

How Should Iron and Titanium be Combined in Oxides to Improve Photoelectrochemical Properties?

Nanoscale clusters in the high performance thermoelectricAgPbmSbTem+2

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