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Title: Family of Ti{sub 5}O{sub 5} superstructures

Abstract

Orthorhombic (space group Pmmm) and tetragonal (space group P422) models are proposed for the Ti{sub 5}O{sub 5} (Ti{sub 5}■O{sub 5}□) family of nonstoichiometric titanium monoxide Ti{sub x}O{sub z} with double imperfection. The disorder-order (Ti{sub x}O{sub z} (space group Fm3̄m)-Ti{sub 5}O{sub 5} (space group Pmmm) and Ti{sub x}O{sub z} (space group (Fm3̄m)-Ti{sub 5}O{sub 5} (space group P422)) transition channels include five superstructure vectors, which belong to stars {k_1_0}, {k_4_(_1_)}, and {k_4_(_2_)} or {k_1_0}, {k_6_(_1_)}, and {k_6_(_2_)}, respectively. The functions of distribution of Ti and O atoms over the sites of the model Ti{sub 5}O{sub 5} superstructures are calculated. The well-known cubic and monoclinic Ti{sub 5}O{sub 5} superstructures are compared with the model orthorhombic and tetragonal superstructures. It is shown that, as temperature decreases, two physically allowable transformation sequences related to the Ti{sub 5}O{sub 5} superstructure formation are possible in nonstoichiometric titanium monoxide Ti{sub x}O{sub z}.

Authors:
 [1]
  1. Russian Academy of Sciences, Institute of Solid-State Chemistry, Ural Branch (Russian Federation)
Publication Date:
OSTI Identifier:
22722844
Resource Type:
Journal Article
Journal Name:
Journal of Experimental and Theoretical Physics
Additional Journal Information:
Journal Volume: 120; Journal Issue: 5; Other Information: Copyright (c) 2015 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7761
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; MONOCLINIC LATTICES; ORTHORHOMBIC LATTICES; OXYGEN; SPACE GROUPS; TETRAGONAL LATTICES; TITANIUM; TITANIUM OXIDES; TRANSFORMATIONS

Citation Formats

Gusev, A. I., E-mail: gusev@ihim.uran.ru. Family of Ti{sub 5}O{sub 5} superstructures. United States: N. p., 2015. Web. doi:10.1134/S1063776115040044.
Gusev, A. I., E-mail: gusev@ihim.uran.ru. Family of Ti{sub 5}O{sub 5} superstructures. United States. doi:10.1134/S1063776115040044.
Gusev, A. I., E-mail: gusev@ihim.uran.ru. Fri . "Family of Ti{sub 5}O{sub 5} superstructures". United States. doi:10.1134/S1063776115040044.
@article{osti_22722844,
title = {Family of Ti{sub 5}O{sub 5} superstructures},
author = {Gusev, A. I., E-mail: gusev@ihim.uran.ru},
abstractNote = {Orthorhombic (space group Pmmm) and tetragonal (space group P422) models are proposed for the Ti{sub 5}O{sub 5} (Ti{sub 5}■O{sub 5}□) family of nonstoichiometric titanium monoxide Ti{sub x}O{sub z} with double imperfection. The disorder-order (Ti{sub x}O{sub z} (space group Fm3̄m)-Ti{sub 5}O{sub 5} (space group Pmmm) and Ti{sub x}O{sub z} (space group (Fm3̄m)-Ti{sub 5}O{sub 5} (space group P422)) transition channels include five superstructure vectors, which belong to stars {k_1_0}, {k_4_(_1_)}, and {k_4_(_2_)} or {k_1_0}, {k_6_(_1_)}, and {k_6_(_2_)}, respectively. The functions of distribution of Ti and O atoms over the sites of the model Ti{sub 5}O{sub 5} superstructures are calculated. The well-known cubic and monoclinic Ti{sub 5}O{sub 5} superstructures are compared with the model orthorhombic and tetragonal superstructures. It is shown that, as temperature decreases, two physically allowable transformation sequences related to the Ti{sub 5}O{sub 5} superstructure formation are possible in nonstoichiometric titanium monoxide Ti{sub x}O{sub z}.},
doi = {10.1134/S1063776115040044},
journal = {Journal of Experimental and Theoretical Physics},
issn = {1063-7761},
number = 5,
volume = 120,
place = {United States},
year = {2015},
month = {5}
}