UNSPECIFIED (2001) Microscopic mechanism of stability in yttria-doped zirconia. JETP LETTERS, 74 (11). pp. 552-555. ISSN 0021-3640

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Abstract

The relaxed configurations of yttria-stabilised zirconia (YSZ) between 3 and 10 mol % of Y2O3 were modeled using the pseudopotential technique. In the displacive limit of a double-well potential model, the vibrational mode corresponding to the soft phonon in pure c-ZrO2 was calculated for each Y2O3 composition. These anharmonic vibrations, associated with the stabilization of YSZ, were investigated within the self-consistent phonon approximation making obtainable the fine structure in spectral density. In studying the phonon dynamics, we use the displacement probability density, which can quantify very accurately the transition temperature necessary for stabilizing the YSZ cubic phase. (C) 2001 MAIK "Nauka/Interperiodica".

Item Type:	Journal Article
Subjects:	Q Science > QC Physics
Journal or Publication Title:	JETP LETTERS
Publisher:	AMER INST PHYSICS
ISSN:	0021-3640
Date:	2001
Volume:	74
Number:	11
Number of Pages:	4
Page Range:	pp. 552-555
Publication Status:	Published
URI:	http://wrap.warwick.ac.uk/id/eprint/11341

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