EXAFS and XRD studies with subpicometer accuracy: The case of ReO 3

Juris Purans; Giuseppe Dalba; Paolo Fornasini; Alexei Kuzmin; Simone De Panfilis; Francesco Rocca

doi:10.1063/1.2644546

EXAFS and XRD studies with subpicometer accuracy: The case of ReO ₃

Juris Purans^*
, Giuseppe Dalba
, Paolo Fornasini
, Alexei Kuzmin
, Simone De Panfilis
, Francesco Rocca

^*Corresponding author for this work

EXAFS Spectroscopy Laboratory, Institute of Solid State Physics

University of Trento
European Synchrotron Radiation Facility
National Research Council of Italy

Research output: Chapter in Book/Report/Conference proceeding › Conference paper › Research › peer-review

12 Citations (Scopus)

Abstract

EXAFS has been measured on ReO₃ from 30 to 600 K; XRD has been contemporarily measured above 300 K. In this way, it has been possible to compare the expansion of the lattice parameter (XRD) and of the bond lengths (EXAFS), measured at the same time. EXAFS was interpreted by the cumulant approach, using ReO₃ measured at low temperature as reference. According to our results, ReO₃ shows a complicated behavior of thermal expansion: (i) ultra low or negative expansion below 100 K, (ii) moderate positive expansion above 150 K up to 500 K, (iii) negative expansion from 500K. up to the decomposition temperature. The EXAFS parallel and perpendicular MSRD (mean square relative displacements) have been calculated for the 1st and 4th shells. An unexpected result is that the perpendicular MSRD of the first coordination shell has a weak temperature dependence.

Original language	English
Title of host publication	X-RAY ABSORPTION FINE STRUCTURE - XAFS13
Subtitle of host publication	13th International Conference
Pages	422-424
Number of pages	3
DOIs	https://doi.org/10.1063/1.2644546
Publication status	Published - 2007
Event	X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference - Stanford, CA, United States Duration: 9 Jul 2006 → 14 Jul 2006

Publication series

Name	AIP Conference Proceedings
Volume	882
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference
Country/Territory	United States
City	Stanford, CA
Period	9/07/06 → 14/07/06

Keywords

Cumulants
EXAFS
Re0
Thermal expansion
XRD

Access to Document

10.1063/1.2644546

Cite this

@inproceedings{82914656115d4090a6ba6140712e10cf,

title = "EXAFS and XRD studies with subpicometer accuracy: The case of ReO 3",

abstract = "EXAFS has been measured on ReO3 from 30 to 600 K; XRD has been contemporarily measured above 300 K. In this way, it has been possible to compare the expansion of the lattice parameter (XRD) and of the bond lengths (EXAFS), measured at the same time. EXAFS was interpreted by the cumulant approach, using ReO3 measured at low temperature as reference. According to our results, ReO3 shows a complicated behavior of thermal expansion: (i) ultra low or negative expansion below 100 K, (ii) moderate positive expansion above 150 K up to 500 K, (iii) negative expansion from 500K. up to the decomposition temperature. The EXAFS parallel and perpendicular MSRD (mean square relative displacements) have been calculated for the 1st and 4th shells. An unexpected result is that the perpendicular MSRD of the first coordination shell has a weak temperature dependence.",

keywords = "Cumulants, EXAFS, Re0, Thermal expansion, XRD",

author = "Juris Purans and Giuseppe Dalba and Paolo Fornasini and Alexei Kuzmin and \{De Panfilis\}, Simone and Francesco Rocca",

year = "2007",

doi = "10.1063/1.2644546",

language = "English",

isbn = "0735403848",

series = "AIP Conference Proceedings",

pages = "422--424",

booktitle = "X-RAY ABSORPTION FINE STRUCTURE - XAFS13",

note = "X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference ; Conference date: 09-07-2006 Through 14-07-2006",

}

Purans, J, Dalba, G, Fornasini, P, Kuzmin, A, De Panfilis, S & Rocca, F 2007, EXAFS and XRD studies with subpicometer accuracy: The case of ReO ₃. in X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference. AIP Conference Proceedings, vol. 882, pp. 422-424, X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference, Stanford, CA, United States, 9/07/06. https://doi.org/10.1063/1.2644546

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T1 - EXAFS and XRD studies with subpicometer accuracy

T2 - X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference

AU - Purans, Juris

AU - Dalba, Giuseppe

AU - Fornasini, Paolo

AU - Kuzmin, Alexei

AU - De Panfilis, Simone

AU - Rocca, Francesco

PY - 2007

Y1 - 2007

N2 - EXAFS has been measured on ReO3 from 30 to 600 K; XRD has been contemporarily measured above 300 K. In this way, it has been possible to compare the expansion of the lattice parameter (XRD) and of the bond lengths (EXAFS), measured at the same time. EXAFS was interpreted by the cumulant approach, using ReO3 measured at low temperature as reference. According to our results, ReO3 shows a complicated behavior of thermal expansion: (i) ultra low or negative expansion below 100 K, (ii) moderate positive expansion above 150 K up to 500 K, (iii) negative expansion from 500K. up to the decomposition temperature. The EXAFS parallel and perpendicular MSRD (mean square relative displacements) have been calculated for the 1st and 4th shells. An unexpected result is that the perpendicular MSRD of the first coordination shell has a weak temperature dependence.

AB - EXAFS has been measured on ReO3 from 30 to 600 K; XRD has been contemporarily measured above 300 K. In this way, it has been possible to compare the expansion of the lattice parameter (XRD) and of the bond lengths (EXAFS), measured at the same time. EXAFS was interpreted by the cumulant approach, using ReO3 measured at low temperature as reference. According to our results, ReO3 shows a complicated behavior of thermal expansion: (i) ultra low or negative expansion below 100 K, (ii) moderate positive expansion above 150 K up to 500 K, (iii) negative expansion from 500K. up to the decomposition temperature. The EXAFS parallel and perpendicular MSRD (mean square relative displacements) have been calculated for the 1st and 4th shells. An unexpected result is that the perpendicular MSRD of the first coordination shell has a weak temperature dependence.

KW - Cumulants

KW - EXAFS

KW - Re0

KW - Thermal expansion

KW - XRD

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