Neutron powder diffraction study of the orientational order-disorder phase transition in calcite, CaCO3

Dove, M. T. and Swainson, I. P. and Powell, B. M. and Tennant, D. C. (2005) Neutron powder diffraction study of the orientational order-disorder phase transition in calcite, CaCO3. Physics and Chemistry of Minerals, 32 (7). pp. 493-503. DOI https://doi.org/10.1007/s00269-005-0026-1

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Abstract

Neutron powder diffraction studies of calcite on heating towards the orientational order–disorder phase transition show that the phase transition is not a simple analogue of an Ising-like transition, but more similar to a rotational analogue of Lindemann melting. The transition is precipitated by the librational amplitude of the carbonate molecular ions exceeding a critical value rather than a result of a statistical entropy of ‘wrong’ orientations. Using tested interatomic potentials the single-particle orientational potential and nearest neighbour orientational interactions have been calculated.

Item Type:	Article
Uncontrolled Keywords:	2005 AREP 2005 P IA49
Subjects:	03 - Mineral Sciences
Divisions:	03 - Mineral Sciences
Journal or Publication Title:	Physics and Chemistry of Minerals
Volume:	32
Page Range:	pp. 493-503
Identification Number:	https://doi.org/10.1007/s00269-005-0026-1
Depositing User:	Sarah Humbert
Date Deposited:	08 Jun 2011 09:54
Last Modified:	23 Jul 2013 09:58
URI:	http://eprints.esc.cam.ac.uk/id/eprint/1629

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