Relationship between short- and long-range orders in nonstoichiometric titanium monoxide (TiO{sub y})

Journal Article · Mon Nov 15 00:00:00 EST 2010 · Journal of Experimental and Theoretical Physics

DOI:https://doi.org/10.1134/S1063776110110105· OSTI ID:21443348

Kostenko, M G; Rempel', A A ^[1]

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1. Russian Academy of Sciences, Institute of Solid State Chemistry, Ural Branch (Russian Federation)

The relationship between the short- and long-range orders in various phases of nonstoichiometric titanium monoxide (TiO{sub y}) has been analyzed for the first time. The types of the local environment of lattice sites in the metal and nonmetal (oxygen) sublattices of Ti{sub 5}O{sub 5}, Ti{sub 3}O{sub 2}, Ti{sub 2}O{sub 3}, and Ti{sub 4}O{sub 5} superstructures are described. It is established that, in phases where ordering takes place simultaneously in both sublattices, all parameters of the superstructural short-range order determining the positions of atoms and vacancies in the first three coordination spheres can be uniquely expressed via the long-range order parameters. If the ordering takes place only in one sublattice, then five of the six short-range order parameters vanish. It is shown that, using data on the maximum absolute values of six short-range order parameters and on the fractions of occupied atomic positions in titanium and oxygen sublattices, it is possible to predict the type of ordered phase expected to form in the nonstoichiometric titanium monoxide TiO{sub y}.

• OSTI ID: 21443348
• Journal Information: Journal of Experimental and Theoretical Physics, Vol. 111, Issue 5; Other Information: DOI: 10.1134/S1063776110110105; Copyright (c) 2010 Pleiades Publishing, Ltd.; ISSN 1063-7761
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ATOMS
CONCENTRATION RATIO
CRYSTAL LATTICES
ORDER PARAMETERS
OXYGEN
PHASE STABILITY
PHASE STUDIES
TITANIUM
TITANIUM OXIDES
VACANCIES
CHALCOGENIDES
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
DIMENSIONLESS NUMBERS
ELEMENTS
METALS
NONMETALS
OXIDES
OXYGEN COMPOUNDS
POINT DEFECTS
STABILITY
TITANIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS