This article is cited in 12 papers

Phase transitions

A thermodynamic model of ordering of nonstoichiometric titanium monoxide TiO$_y$ with structural vacancies in the oxygen and titanium sublattices

M. G. Kostenko^ab, A. A. Rempel<sup>ab

a</sup> Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences, Ekaterinburg
^b Ural Federal University named after the First President of Russia B. N. Yeltsin, Ekaterinburg

Abstract: A thermodynamic model of ordering of nonstoichiometric titanium monoxide TiO$_y$ with structural vacancies in the oxygen and titanium sublattices has been developed taking into account the long-range Coulomb interactions. Methods for calculating the internal energy and entropy of this compound have been proposed. The free energy is represented in the form of a function of long-range order parameters, stoichiometry, and temperature. It has been found that the order-disorder phase transition in the titanium monoxide should occur according to the mechanism of a first-order phase transition. The calculated dependences of the critical values of the long-range order parameters and temperatures on the composition y have demonstrated that, when the composition deviates from stoichiometry, the disordering of structural vacancies in different sublattices should proceed at different temperatures.

Received: 22.02.2011

 English version: Physics of the Solid State, 2011, 53:9, 1909–1916

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