This article is cited in 7 papers

CONDENSED MATTER

Cluster probabilities in ordered titanium monoxide TiO _y as functions of the long-range order parameters

A. A. Valeeva, A. A. Rempel

Institute of Solid State Chemistry, Ural Division, Russian Academy of Sciences, Yekaterinburg, Russia

Abstract: The thermodynamic method is being developed for calculating the titanium-oxygen phase diagram in the domain of existence of the nonstoichiometric titanium monoxide TiO _y with vacancies in the metallic and nonmetallic sublattices. To develop the adequate thermodynamic model, the ordering in TiO _y was studied in detail by the x-ray diffraction method. The study showed that the low-temperature state of titanium monoxide is characterized by a nearly ideal atomic ordering in both metallic and oxygen sublattices. The structural analysis of the ordered Ti₅O₅ phase (space group C2/m) in titanium monoxide showed that one should use the multicluster approximation in modeling the free energy of the nonstoichiometric monoxide.

PACS: 61.50.Ah, 61.50.Nw, 61.72.jd

Received: 19.06.2008

 English version: Journal of Experimental and Theoretical Physics Letters, 2008, 88:3, 172–177

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