Geodesic
Effect of high pressures and high temperatures on the structure of nanostructured titanium monoxide
Nanosistemy: fizika, himiâ, matematika, Tome 9 (2018) no. 4, pp. 544-548.

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The structure of nanostructured titanium monoxide TiO$_{0.98}$ containing structural vacancies in two sublattices simultaneously has been modified via thermobaric annealing. Analysis of the experimental data on thermobaric synthesis of nanostructured TiO$_{0.98}$ with cubic $B1$ type structure at temperatures $573$–$2273$ K and pressure $6$ GPa revealed that a transition from the cubic $B1$ (sp. gr. $Fm\overline{3}m$) phase to the trigonal Ti$_2$O$_3$ (sp. gr. $R\overline{3}c$) phase takes place in the nanostructured monoxide as a result of high pressures and high temperatures. The first-principle calculations of the cohesive energy and electronic structure show that the trigonal phase with space group $R\overline{3}c$ is energetically favorable compared to the cubic phase of the same composition TiO$_{3/2}$ and the orthorhombic ordered Ti$_2$O$_3$ (sp. gr. $Immm$) phase.
Keywords: nanostructured titanium monoxide, structural vacancy, nonstoichiometry, high pressure, high temperature, electronic structure.
Mots-clés : phase transition 
@article{NANO_2018_9_4_a14,
     author = {A. A. Valeeva and M. G. Kostenko and A. Pfitzner and A. A. Rempel},
     title = {Effect of high pressures and high temperatures on the structure of nanostructured titanium monoxide},
     journal = {Nanosistemy: fizika, himi\^a, matematika},
     pages = {544--548},
     publisher = {mathdoc},
     volume = {9},
     number = {4},
     year = {2018},
     language = {en},
     url = {http://geodesic.mathdoc.fr/item/NANO_2018_9_4_a14/}
}
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A. A. Valeeva; M. G. Kostenko; A. Pfitzner; A. A. Rempel. Effect of high pressures and high temperatures on the structure of nanostructured titanium monoxide. Nanosistemy: fizika, himiâ, matematika, Tome 9 (2018) no. 4, pp. 544-548. http://geodesic.mathdoc.fr/item/NANO_2018_9_4_a14/