In$_4$Mg$_3$ in In$_x$Mg$_3$ (x = 1 – 6) series: a magic unit for future smart materials
Nanosistemy: fizika, himiâ, matematika, Tome 7 (2016) no. 4, pp. 592-594
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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.
Keywords:
Magic clusters, jellium model, density functional theory, smart materials.
@article{NANO_2016_7_4_a1,
author = {Debesh R. Roy and Majid Shaikh and Vipin Kumar},
title = {In$_4${Mg}$_3$ in {In}$_x${Mg}$_3$ (x = 1 {\textendash} 6) series: a magic unit for future smart materials},
journal = {Nanosistemy: fizika, himi\^a, matematika},
pages = {592--594},
year = {2016},
volume = {7},
number = {4},
language = {en},
url = {http://geodesic.mathdoc.fr/item/NANO_2016_7_4_a1/}
}
TY - JOUR AU - Debesh R. Roy AU - Majid Shaikh AU - Vipin Kumar TI - In$_4$Mg$_3$ in In$_x$Mg$_3$ (x = 1 – 6) series: a magic unit for future smart materials JO - Nanosistemy: fizika, himiâ, matematika PY - 2016 SP - 592 EP - 594 VL - 7 IS - 4 UR - http://geodesic.mathdoc.fr/item/NANO_2016_7_4_a1/ LA - en ID - NANO_2016_7_4_a1 ER -
%0 Journal Article %A Debesh R. Roy %A Majid Shaikh %A Vipin Kumar %T In$_4$Mg$_3$ in In$_x$Mg$_3$ (x = 1 – 6) series: a magic unit for future smart materials %J Nanosistemy: fizika, himiâ, matematika %D 2016 %P 592-594 %V 7 %N 4 %U http://geodesic.mathdoc.fr/item/NANO_2016_7_4_a1/ %G en %F NANO_2016_7_4_a1
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. Nanosistemy: fizika, himiâ, matematika, Tome 7 (2016) no. 4, pp. 592-594. http://geodesic.mathdoc.fr/item/NANO_2016_7_4_a1/