Journal Article

PUBDB-2016-04394

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Low-temperature powder X-ray diffraction measurements in vacuum: analysis of the thermal displacement of copper

Wahlberg, N.Extern* ; Bindzus, N.Extern* ; Christensen, S. ; Becker, J.Extern* ; Dippel, A.-C.DESY* ; Joergensen, M. R.Extern* ; Brummerstedt Iversen, B. (Corresponding author)Extern*

2016
Munksgaard Copenhagen

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Please use a persistent id in citations: doi:10.1107/S1600576715022621

Abstract: A serious limitation of the all-in-vacuum diffractometer reported by Straasø, Dippel, Becker & Als-Nielsen [J. Synchrotron Rad. (2014), 21, 119-126] has so far been the inability to cool samples to near-cryogenic temperatures during measurement. The problem is solved by placing the sample in a jet of helium gas cooled by liquid nitrogen. The resulting temperature change is quantified by determining the change in unit-cell parameter and atomic displacement parameter of copper. The cooling proved successful, with a resulting temperature of ~95 (3) K. The measured powder X-ray diffraction data are of superb quality and high resolution [up to sin$\theta/\lambda$ = 2.2 Å$^{-1}$], permitting an extensive modelling of the thermal displacement. The anharmonic displacement of copper was modelled by a Gram-Charlier expansion of the temperature factor. As expected, the corresponding probability distribution function shows an increased probability away from neighbouring atoms and a decreased probability towards them.

Note: (c) International Union of Crystallography. Post referee full text in progress.

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Contributing Institute(s):

1. DOOR-User (DOOR)
2. Experimentebetreuung PETRA III (FS-PE)

Research Program(s):

1. 6213 - Materials and Processes for Energy and Transport Technologies (POF3-621) (POF3-621)
2. 6G3 - PETRA III (POF3-622) (POF3-622)

Experiment(s):

1. PETRA Beamline P02.1 (PETRA III)

Appears in the scientific report 2016

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Database coverage:
; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; NCBI Molecular Biology Database ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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