Order–order transition structural state in titanium monoxide TiO1.0


Cite item

Full Text

Open Access Open Access
Restricted Access Access granted
Restricted Access Subscription Access

Abstract

A new class of defect structures in which point defects of a crystal lattice simultaneously occupy sites of two different superstructures is proposed. The formation of these structural modifications is due to a second-order order–order phase transition that does not occur to the end. The allowable relation between the long-range order parameters in the structural modification formed by a combination of the monoclinic (M5X5)mon (space group C2/m (A2/m)) and the cubic (M5X5)cub (space group Pm3m) of the superstructures is studied using an atom–vacancy ordering in titanium monoxide TiO1.0. The thermodynamic calculations show that the proposed structural modification is equilibrium and must form instead of assumed high-temperature cubic phase (Ti5O5)cub.

About the authors

M. G. Kostenko

Institute of Solid State Chemistry, Ural Branch

Email: rempel@ihim.uran.ru
Russian Federation, Yekaterinburg, 620990

S. V. Sharf

Institute of Mathematics and Mechanics, Ural Branch

Email: rempel@ihim.uran.ru
Russian Federation, Yekaterinburg, 620049

A. A. Rempel

Institute of Solid State Chemistry, Ural Branch

Author for correspondence.
Email: rempel@ihim.uran.ru
Russian Federation, Yekaterinburg, 620990

Supplementary files

Supplementary Files
Action
1. JATS XML

Copyright (c) 2017 Pleiades Publishing, Ltd.