Pressure induced phase transition in Fe0.47NbS2 studied by powder X-ray diffraction

Ehm, L., Knorr, K., Peters, L., Rath, S. and Depmeier, W. (2007) Pressure induced phase transition in Fe0.47NbS2 studied by powder X-ray diffraction Journal of Alloys and Compounds, 429 (1-2). pp. 82-86. DOI 10.1016/j.jallcom.2006.04.007.

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Abstract

The structural behavior of Fe0.47NbS2 at high pressure has been investigated by angular dispersive synchrotron powder diffraction up to 13.63(7) GPa. A first-order phase transition was observed between 6.92(4) and 7.49(4) GPa. It is an isostructural transition that is accompanied by a volume discontinuity of about 4% at the transition. The compression behavior of the structure is highly anisotropic. The compressibility perpendicular to the layers is significantly higher than within the layers. The bulk moduli, derived from fits of second-order Birch-Mumaghan equations of state, are B-0 = 87(1) GPa for the low-pressure phase Fe0.47NbS2-I and B-0 = 112(1) GPa for the high-pressure phase Fe0.47NbS2-II, respectively. A change in the electronic or spin state of the iron in the van der Waals gap is assumed to govern the observed phase transition. (c) 2006 Elsevier B.V. All rights reserved.

Document Type: Article
Keywords: semiconductors crystal structure high pressure phase transition X-ray diffraction emission spectroscopy software crystal sulfide
Research affiliation: Kiel University
DOI etc.: 10.1016/j.jallcom.2006.04.007
ISSN: 0925-8388
Date Deposited: 12 Jan 2012 06:03
Last Modified: 08 Oct 2012 10:20
URI: http://eprints.uni-kiel.de/id/eprint/15907

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