M. G. Kostenko, A. A. Rempel, S. V. Sharf, A. V. Lukoyanov, “Simulation of the short-range order in disordered cubic titanium monoxide TiO$_{1.0}$”, Pis'ma v Zh. Èksper. Teoret. Fiz., 97:11 (2013), 712–717; JETP Letters, 97:11 (2013), 616

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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2013, Volume 97, Issue 11, Pages 712–717
DOI: https://doi.org/10.7868/S0370274X13110027 (Mi jetpl3433)

This article is cited in 18 scientific papers (total in 18 papers)

CONDENSED MATTER

Simulation of the short-range order in disordered cubic titanium monoxide TiO

_{1.0}

$_{1.0}$

M. G. Kostenko^a, A. A. Rempel^ba, S. V. Sharf^c, A. V. Lukoyanov^bd

^a Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences
^b Ural Federal University named after the First President of Russia B. N. Yeltsin, Ekaterinburg
^c Institute of Mathematics and Mechanics, Ural Branch of the Russian Academy of Sciences, Ekaterinburg
^d Institute of Metal Physics, Ural Division of the Russian Academy of Sciences

Full-text PDF (553 kB) Citations (18)

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DOI: https://doi.org/10.7868/S0370274X13110027

Abstract: A model of the atomic structure with the short-range order in the vacancy distribution for the disordered cubic phase of titanium monoxide TiO

_{1.0}

$_{1.0}$ has been proposed. The effect of the short-range order on the electronic structure and the stability of the compound has been studied by the supercell method within the DFT-GGA approximation with the use of pseudopotentials. It has been established that the appearance of the short-range order considerably decreases the total energy. The decrease in the energy is comparable with the energy gain during the ordering of the vacancies according to the type of monoclinic superstructure Ti

_{5}

$_5$ O

_{5}

$_5$ to the long-range order parameter

η = 0.7

$\eta = 0.7$ . It has been shown that the discrepancies between the theoretical and experimental electronic spectra of titanium monoxide can be explained by allowance for the short range order.

Received: 12.03.2013
Revised: 19.04.2013

English version:
Journal of Experimental and Theoretical Physics Letters, 2013, Volume 97, Issue 11, Pages 616–620
DOI: https://doi.org/10.1134/S0021364013110076

Bibliographic databases:

Document Type: Article

Language: Russian

Citation: M. G. Kostenko, A. A. Rempel, S. V. Sharf, A. V. Lukoyanov, “Simulation of the short-range order in disordered cubic titanium monoxide TiO

_{1.0}

$_{1.0}$ ”, Pis'ma v Zh. Èksper. Teoret. Fiz., 97:11 (2013), 712–717; JETP Letters, 97:11 (2013), 616–620

Citation in format AMSBIB

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Linking options:

https://www.mathnet.ru/eng/jetpl3433

https://www.mathnet.ru/eng/jetpl/v97/i11/p712

This publication is cited in the following 18 articles:

Kostenko M.G. Sharf S.V., J. Exp. Theor. Phys., 131:6 (2020), 945–950
Kostenko M.G. Sharf S.V., J. Exp. Theor. Phys., 128:4 (2019), 607–615
Kostenko M.G. Valeeva A.A., Mendeleev Commun., 29:4 (2019), 405–407
Vladimir L. Averbukh, Natalya V. Averbukh, Pavel Vasev, Ilya I. Gvozdarev, Georgy I. Levchuk, Ilya Starodubtsev, Majid Forghani, 2019 International Multi-Conference on Engineering, Computer and Information Sciences (SIBIRCON), 2019, 0786
M. G. Kostenko, A. A. Rempel, Mendeleev Commun., 28:1 (2018), 36–38
M. G. Kostenko, A. A. Rempel, Phys. Solid State, 60:3 (2018), 461–465
A. A. Valeeva, M. G. Kostenko, S. Z. Nazarova, E. Yu. Gerasimov, A. A. Rempel, Inorg. Mater., 54:6 (2018), 568–574
M. G. Kostenko, A. V. Lukoyanov, E. I. Shreder, JETP Letters, 107:2 (2018), 126–128
N. M. Chtchelkachev, R. E. Ryltsev, M. G. Kostenko, A. A. Rempel, JETP Letters, 108:7 (2018), 476–480
M. G. Kostenko, A. A. Rempel, S. V. Sharf, A. V. Lukoyanov, Mendeleev Commun., 27:2 (2017), 147–149
M. G. Kostenko, A. A. Rempel, JETP Letters, 106:3 (2017), 157–161
M. G. Kostenko, A. A. Valeeva, A. A. Rempel, JETP Letters, 106:6 (2017), 354–357
A. A. Valeeva, M. G. Kostenko, Nanosyst.-Phys. Chem. Math., 8:6 (2017), 816–822
M. G. Kostenko, A. A. Rempel, J. Exp. Theor. Phys., 125:2 (2017), 235–245
M. G. Kostenko, A. A. Rempel, Phys. Solid State, 59:4 (2017), 644–651
M. G. Kostenko, A. A. Rempel, J. Solid State Chem., 253 (2017), 139–146
M. G. Kostenko, S. V. Sharf, A. A. Rempel, Bull. Russ. Acad. Sci. Phys., 81:3 (2017), 373
M. G. Kostenko, A. A. Rempel, S. V. Sharf, A. V. Lukoyanov, JETP Letters, 102:2 (2015), 85–90

Citing articles in Google Scholar: Russian citations, English citations
Related articles in Google Scholar: Russian articles, English articles

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