Geodesic
Theoretical study of atomic structure of solid solution Al$_{1-x}$Sc$_{x}$N
Žurnal Sibirskogo federalʹnogo universiteta. Matematika i fizika, Tome 11 (2018) no. 6, pp. 665-669

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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: ab initio DFT approach.
Mots-clés : solid solution, phase transformation 
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     author = {Svetlana A. Bondarenko and Boris P. Sorokin and Pavel B. Sorokin},
     title = {Theoretical study of atomic structure of solid solution {Al}$_{1-x}${Sc}$_{x}${N}},
     journal = {\v{Z}urnal Sibirskogo federalʹnogo universiteta. Matematika i fizika},
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     number = {6},
     year = {2018},
     language = {en},
     url = {http://geodesic.mathdoc.fr/item/JSFU_2018_11_6_a0/}
}
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Svetlana A. Bondarenko; Boris P. Sorokin; Pavel B. Sorokin. Theoretical study of atomic structure of solid solution Al$_{1-x}$Sc$_{x}$N. Žurnal Sibirskogo federalʹnogo universiteta. Matematika i fizika, Tome 11 (2018) no. 6, pp. 665-669. http://geodesic.mathdoc.fr/item/JSFU_2018_11_6_a0/