Cluster probabilities in ordered titanium monoxide TiO
y
as functions of the long-range order parameters |
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Authors: | A A Valeeva A A Rempel |
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Institution: | (1) Institute of Solid State Chemistry, Ural Division, Russian Academy of Sciences, Yekaterinburg, Russia |
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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. |
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