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Journal of Siberian Federal University. Mathematics & Physics, 2018, Volume 11, Issue 6, Pages 665–669
DOI: https://doi.org/10.17516/1997-1397-2018-11-6-665-669 (Mi jsfu714) 		 
Theoretical study of atomic structure of solid solution Al$_{1-x}$Sc$_{x}$N

Svetlana A. Bondarenkoab, Boris P. Sorokinb, Pavel B. Sorokinb

a Moscow Institute of Physics and Technology, Institutskiy per., 9, Dolgoprudny, Moscow Region, 141701, Russia
b Technological Institute for Superhard and Novel Carbon Materials, Tsentral'naya, 7a, Troitsk, Moscow, 142190, Russia
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DOI: https://doi.org/10.17516/1997-1397-2018-11-6-665-669
Abstract: The features of atomic structure of Al$_{1-x}$Sc$_{x}$N in the whole Sc concentration were studied using ab initio DFT approach. The possible segregation of AlN and ScN phases in a solid solution was investigated and results were compared with available reference data. Close agreement between theoretical models and experimental structures of phases investigated has been pointed out.
Keywords: solid solution, phase transformation, ab initio DFT approach.
Funding agency Grant number
Ministry of Education and Science of the Russian Federation RFMEFI59317X0007
This work was supported by the Ministry of Education and Science of the Russian Federation (project ID RFMEFI59317X0007; the agreement no. 14.593.21.0007); the work was done using the Shared Research Facilities “Research of Nanostructured, Carbon and Superhard Materials” FSBI TISNCM.
Received: 06.01.2017
Received in revised form: 06.07.2017
Accepted: 06.08.2018
Bibliographic databases:
Document Type: Article
UDC: 519.21
Language: English
Citation: Svetlana A. Bondarenko, Boris P. Sorokin, Pavel B. Sorokin, “Theoretical study of atomic structure of solid solution Al$_{1-x}$Sc$_{x}$N”, J. Sib. Fed. Univ. Math. Phys., 11:6 (2018), 665–669
Citation in format AMSBIB
\Bibitem{BonSorSor18}
\by Svetlana~A.~Bondarenko, Boris~P.~Sorokin, Pavel~B.~Sorokin
\paper Theoretical study of atomic structure of solid solution Al$_{1-x}$Sc$_{x}$N
\jour J. Sib. Fed. Univ. Math. Phys.
\yr 2018
\vol 11
\issue 6
\pages 665--669
\mathnet{http://mi.mathnet.ru/jsfu714}
\crossref{https://doi.org/10.17516/1997-1397-2018-11-6-665-669}
\isi{https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=Publons&SrcAuth=Publons_CEL&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=000452216700001}
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    		Журнал Сибирского федерального университета. Серия "Математика и физика"
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