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In$_4$Mg$_3$ in In$_x$Mg$_3$ (x = 1 – 6) series: a magic unit for future smart materials
Debesh R. Roy, Majid Shaikh, Vipin Kumar Department of Applied Physics, S.V. National Institute of Technology, Surat 395007, India
Аннотация:
Systematic investigation on the stability and electronic properties of a series of bimetallic (semiconductor-alkaline earth) clusters, viz., In$_x$Mg$_3$ (x = 1 – 6) is performed, in the search for exceptionally and/or unusually stable motifs. A very popular hybrid exchange-correlation functional, B3LYP as proposed by A. D. Becke is employed for this purpose under the density functional formalism. The magic stability among the concerned clusters is explained using the jellium model. It is evident from the present study that the magic stability of In$_4$Mg$_3$ cluster arises due to the jellium shell closure and found as a potential building block for future novel semiconductor materials.
Ключевые слова:
Magic clusters, jellium model, density functional theory, smart materials.
Поступила в редакцию: 27.01.2016 Исправленный вариант: 16.05.2016
Образец цитирования:
Debesh R. Roy, Majid Shaikh, Vipin Kumar, “In$_4$Mg$_3$ in In$_x$Mg$_3$ (x = 1 – 6) series: a magic unit for future smart materials”, Наносистемы: физика, химия, математика, 7:4 (2016), 592–594
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/nano245 https://www.mathnet.ru/rus/nano/v7/i4/p592
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