M. G. Kostenko, A. A. Rempel, S. V. Sharf, A. V. Lukoyanov, “Inclusion of the correlation short-range order in Ab initio calculations of the energy of the ground state by example of titanium monoxide TiO$_{1.0}$”, Pis'ma v Zh. Èksper. Teoret. Fiz., 102:2 (2015), 94–100; JETP Letters, 102:2 (2015), 85

Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki

RUS ENG

JOURNALS PEOPLE ORGANISATIONS CONFERENCES SEMINARS VIDEO LIBRARY PACKAGE AMSBIB

JavaScript is disabled in your browser. Please switch it on to enable full functionality of the website

	General information
	Latest issue
	Archive
	Impact factor

	Search papers
	Search references

	RSS
	Latest issue
	Current issues
	Archive issues
	What is RSS

Pis'ma v Zh. Èksper. Teoret. Fiz.:
Year:
Volume:
Issue:
Page:
	Find

Personal entry:
Login:
Password:
	Save password
	Enter
	Forgotten password?
	Register

Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2015, Volume 102, Issue 2, Pages 94–100
DOI: https://doi.org/10.7868/S0370274X15140040 (Mi jetpl4682)

This article is cited in 17 scientific papers (total in 17 papers)

CONDENSED MATTER

Inclusion of the correlation short-range order in Ab initio calculations of the energy of the ground state by example of titanium monoxide TiO

$_{1.0}$

M. G. Kostenko^a, A. A. Rempel^ab, S. V. Sharf^c, A. V. Lukoyanov^db

^a Institute of Solid State Chemistry, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russia
^b Ural Federal University, Yekaterinburg, 620002, Russia
^c Institute of Mathematics and Mechanics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russia
^d Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620990, Russia

Full-text PDF (568 kB) Citations (17)

References:

PDF

HTML

DOI: https://doi.org/10.7868/S0370274X15140040

Abstract: A variant of the distribution of structural vacancies at which the crystal structure of ordered compounds simultaneously has a long-range order and correlation short-range order has been proposed and analyzed. The long-range order determines the fraction of vacancies in the atomic and vacancy sublattices of the superstructure formed because of ordering. The correlation short-range order takes into account energy favorable correlations in the arrangement of vacancies, which exist in disordered phases and are not determined by the long-range order. The possibility of the correlation short-range order has been examined by ab initio methods by example of ordering of vacancies in titanium monoxide TiO

$_{1.0}$ according to the type of monoclinic superstructure M

$_5$ X

$_{5\mathrm{mon}}$ . It has been shown that partially ordered modifications with the correlation short-range order are energetically favorable as compared to the modifications without the correlation short-range order.

Received: 10.04.2015
Revised: 22.05.2015

English version:
Journal of Experimental and Theoretical Physics Letters, 2015, Volume 102, Issue 2, Pages 85–90
DOI: https://doi.org/10.1134/S0021364015140064

Bibliographic databases:

Document Type: Article

Language: Russian

Citation: M. G. Kostenko, A. A. Rempel, S. V. Sharf, A. V. Lukoyanov, “Inclusion of the correlation short-range order in Ab initio calculations of the energy of the ground state by example of titanium monoxide TiO

$_{1.0}$ ”, Pis'ma v Zh. Èksper. Teoret. Fiz., 102:2 (2015), 94–100; JETP Letters, 102:2 (2015), 85–90

Citation in format AMSBIB

\Bibitem{KosRemSha15}

\by M.~G.~Kostenko, A.~A.~Rempel, S.~V.~Sharf, A.~V.~Lukoyanov

\paper Inclusion of the correlation short-range order in Ab initio calculations of the energy of the ground state by example of titanium monoxide TiO$_{1.0}$

\jour Pis'ma v Zh. \`Eksper. Teoret. Fiz.

\yr 2015

\vol 102

\issue 2

\pages 94--100

\mathnet{http://mi.mathnet.ru/jetpl4682}

\crossref{https://doi.org/10.7868/S0370274X15140040}

\elib{https://elibrary.ru/item.asp?id=24156795}

\transl

\jour JETP Letters

\yr 2015

\vol 102

\issue 2

\pages 85--90

\crossref{https://doi.org/10.1134/S0021364015140064}

\isi{https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=Publons&SrcAuth=Publons_CEL&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=000361757800004}

\elib{https://elibrary.ru/item.asp?id=24952066}

\scopus{https://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-84942328896}

Linking options:

https://www.mathnet.ru/eng/jetpl4682

https://www.mathnet.ru/eng/jetpl/v102/i2/p94

This publication is cited in the following 17 articles:

M. G. Kostenko, S. V. Sharf, J. Exp. Theor. Phys., 131:6 (2020), 945–950
M. G. Kostenko, S. V. Sharf, J. Exp. Theor. Phys., 128:4 (2019), 607–615
M. G. Kostenko, A. A. Valeeva, Mendeleev Commun., 29:4 (2019), 405–407
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, Bull. Russ. Acad. Sci. Phys., 82:5 (2018), 595
M. G. Kostenko, A. A. Rempel, JETP Letters, 106:3 (2017), 157–161
M. G. Kostenko, A. A. Rempel, J. Exp. Theor. Phys., 125:2 (2017), 235–245
M. G. Kostenko, S. V. Sharf, A. A. Rempel, Physica Status Solidi C-Current Topics in Solid State Physics, 14, no. 3-4, eds. S. Hildebrandt, T. Von Graberg, H. Hopcke, L. Ma, N. Panarina, J. Perelaer, M. Zastrow, E. Perets, Wiley-V C H Verlag Gmbh, 2017, UNSP 1600113
M. G. Kostenko, S. V. Sharf, A. A. Rempel, Phys. Solid State, 59:6 (2017), 1190–1195
M. G. Kostenko, S. V. Sharf, A. A. Rempel, Mendeleev Commun., 27:3 (2017), 251–253
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

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

Письма в Журнал экспериментальной и теоретической физики

Pis'ma v Zhurnal Иksperimental'noi i Teoreticheskoi Fiziki

Statistics & downloads:
Abstract page:	238
Full-text PDF :	60
References:	51
First page:	5

Что такое QR-код?

Registration to the website

Logotypes