najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМО10.17586/2220-8054-2016-7-4-592-594najo-1240Research ArticleСтатьиIn4Mg3 in InxMg3 (x = 1 − 6) series: a magic unit for future smart materialsIn4Mg3 in InxMg3 (x = 1 − 6) series: a magic unit for future smart materialsRoyD. R.RoyD. R.

Department of Applied Physics

Surat 395007

Department of Applied Physics

Surat 395007

drr@ashd.svnit.ac.inShaikhM.ShaikhM.

Department of Applied Physics

Surat 395007

Department of Applied Physics

Surat 395007

KumarV.KumarV.

Department of Applied Physics

Surat 395007

Department of Applied Physics

Surat 395007

S. V. National Institute of TechnologyИндияS. V. National Institute of TechnologyIndia20162208202574592594Copyright © Roy D.R., Shaikh M., Kumar V., 20252025Roy D.R., Shaikh M., Kumar V.Roy D.R., Shaikh M., Kumar V.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/1240

Systematic investigation on the stability and electronic properties of a series of bimetallic (semiconductor-alkaline earth) clusters, viz., InxMg3 (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 In4Mg3 cluster arises due to the jellium shell closure and found as a potential building block for future novel semiconductor materials.

Systematic investigation on the stability and electronic properties of a series of bimetallic (semiconductor-alkaline earth) clusters, viz., InxMg3 (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 In4Mg3 cluster arises due to the jellium shell closure and found as a potential building block for future novel semiconductor materials.

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The authors declare that there are no conflicts of interest present.