Family of Ti{sub 5}O{sub 5} superstructures
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}.
- OSTI ID:
- 22722844
- Journal Information:
- Journal of Experimental and Theoretical Physics, Journal Name: Journal of Experimental and Theoretical Physics Journal Issue: 5 Vol. 120; ISSN JTPHES; ISSN 1063-7761
- Country of Publication:
- United States
- Language:
- English
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