A combined diffraction and EXAFS study of LaCoO3 and La0.5Sr0.5Co0.75Nb0.25O3 powders

2017 ◽  
Vol 32 (S1) ◽  
pp. S52-S55
Author(s):  
E. A. Efimova ◽  
V. V. Sikolenko ◽  
D. V. Karpinsky ◽  
I. O. Troyanchuk ◽  
S. Pascarelli ◽  
...  
Keyword(s):  
Spin State ◽  
State Transition ◽  
X Ray Diffraction ◽  
Absorption Data ◽  
X Ray ◽  
Bond Lengths ◽  
Structural Distortions ◽  
Spin State Transition ◽  
Local Range ◽  
X Ray Absorption

A combination of neutron diffraction, synchrotron X-ray diffraction, and high-resolution extended X-ray absorption fine structure measurements has been used to clarify the correlations between long- and local-range structural distortions across the spin-state transition in powders of LaCoO3 and La0.5Sr0.5Co0.75Nb0.25O3. The analysis of the diffraction data has revealed that the isotropic thermal parameters of Co–O bond abnormally increase below 100 K in both samples, while the temperature dependence of the average Co–O bond lengths is linear from 10 to 300 K. We also have found that the Co–O bond lengths are larger in La0.5Sr0.5Co0.75Nb0.25O3, as compared with the ones in LaCoO3. The X-ray absorption data showed an anomalous decrease of the Co–O bond lengths only for LaCoO3, in contrast to the bond length values obtained by diffraction. The structural anomalies observed by spectroscopy measurements are discussed in terms of the spin-state transition model.

scholarly journals Low-temperature spin-state transition inLaCoO3investigated using resonant x-ray absorption at the CoKedge

2006 ◽  
Vol 73 (5) ◽  
Author(s):  
M. Medarde ◽  
C. Dallera ◽  
M. Grioni ◽  
J. Voigt ◽  
A. Podlesnyak ◽  
...  
Keyword(s):  
Low Temperature ◽  
Spin State ◽  
State Transition ◽  
X Ray ◽  
Spin State Transition ◽  
X Ray Absorption

scholarly journals Spin-state transition in Pr0.5Ca0.5CoO3analyzed by x-ray absorption and emission spectroscopies

2012 ◽  
Vol 86 (12) ◽  
Author(s):  
J. Herrero-Martín ◽  
J. L. García-Muñoz ◽  
K. Kvashnina ◽  
E. Gallo ◽  
G. Subías ◽  
...  
Keyword(s):  
Spin State ◽  
State Transition ◽  
Absorption And Emission ◽  
X Ray ◽  
Spin State Transition ◽  
X Ray Absorption

scholarly journals EXAFS and X-ray diffraction study of LaCoO3across the spin-state transition

2016 ◽  
Vol 712 ◽  
pp. 012118 ◽  
Author(s):  
V V Sikolenko ◽  
I O Troyanchuk ◽  
V V Efimov ◽  
E A Efimova ◽  
S I Tiutiunnikov ◽  
...  
Keyword(s):  
Diffraction Study ◽  
Spin State ◽  
State Transition ◽  
X Ray Diffraction ◽  
X Ray ◽  
Spin State Transition

Evidence for surface effects on the intermolecular interactions in Fe(ii) spin crossover coordination polymers

2022 ◽  
Author(s):  
Thilini K. Ekanayaka ◽  
Hannah Kurz ◽  
Kayleigh A. McElveen ◽  
Guanhua Hao ◽  
Esha Mishra ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Intermolecular Interactions ◽  
Spin State ◽  
Coordination Polymers ◽  
Spin Crossover ◽  
State Transition ◽  
Photoemission Spectroscopy ◽  
X Ray ◽  
Spin State Transition ◽  
X Ray Absorption

From X-ray absorption spectroscopy (XAS) and X-ray photoemission spectroscopy (XPS) it is evident that the spin state transition behavior of Fe(ii) spin crossover coordination polymer crystallites at the surface differs from the bulk.

Direct Evidence of the Symmetry Change of Co-3d Orbitals Associated with the Spin-State Transition in LaCoO3 by X-ray Compton Scattering

2015 ◽  
Vol 84 (11) ◽  
pp. 114706 ◽  
Author(s):  
Yoshihiko Kobayashi ◽  
Yoshiharu Sakurai ◽  
Masayoshi Itou ◽  
Keisuke Sato ◽  
Kichizo Asai
Keyword(s):  
Compton Scattering ◽  
Spin State ◽  
Direct Evidence ◽  
State Transition ◽  
X Ray ◽  
Spin State Transition ◽  
Symmetry Change

scholarly journals Atomistic structure of alkali-silica reaction products refined from X-ray diffraction and micro X-ray absorption data

2020 ◽  
Vol 129 ◽  
pp. 105958 ◽  
Author(s):  
Guoqing Geng ◽  
Zhenguo Shi ◽  
Andreas Leemann ◽  
Camelia Borca ◽  
Thomas Huthwelker ◽  
...  
Keyword(s):  
Alkali Silica Reaction ◽  
Reaction Products ◽  
X Ray Diffraction ◽  
Absorption Data ◽  
X Ray ◽  
X Ray Absorption ◽  
Atomistic Structure

scholarly journals Cation Disorder and Local Structural Distortions in AgxBi1–xS2 Nanoparticles

Nanomaterials ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 316
Author(s):  
Jagadesh Kopula Kesavan ◽  
Francesco d’Acapito ◽  
Paolo Scardi ◽  
Alexandros Stavrinadis ◽  
Mehmet Zafer Akgul ◽  
...  
Keyword(s):  
Density Functional ◽  
Cation Sublattice ◽  
X Ray Diffraction ◽  
Apparent Contradiction ◽  
X Ray ◽  
Structural Distortions ◽  
Cation Disorder ◽  
Dynamics Simulations ◽  
X Ray Absorption ◽  
Local Distortions

By combining X-ray absorption fine structure and X-ray diffraction measurements with density functional and molecular dynamics simulations, we study the structure of a set of AgxBi1−xS2 nanoparticles, a materials system of considerable current interest for photovoltaics. An apparent contradiction between the evidence provided by X-ray absorption and diffraction measurements is solved by means of the simulations. We find that disorder in the cation sublattice induces strong local distortions, leading to the appearance of short Ag–S bonds, the overall lattice symmetry remaining close to hexagonal.

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