AB INITIOSTUDY OF STRUCTURAL STABILITY AND MAGNETIC PROPERTIES OFCon(n = 2 - 10): A STUDY BASED ON PSEUDOPOTENTIALS DFT

M. Samah () and B. Moula
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M. Samah: Condensed Matter Physics and Nanostructures Group, Faculté des Sciences de la vie et de la Nature, Université A/Mira, Route Targua Ouzemour, Bejaia 06000, Algeria
B. Moula: Condensed Matter Physics and Nanostructures Group, Faculté des Sciences de la vie et de la Nature, Université A/Mira, Route Targua Ouzemour, Bejaia 06000, Algeria

International Journal of Modern Physics C (IJMPC), 2011, vol. 22, issue 04, 359-369

Abstract: The lowest-energy geometric and isomers of freestandingConclusters(n = 2 - 10)and their corresponding magnetic moments have been studied using the Siesta code based on pseudopotential density-functional theory. The calculated results show that there are many isomers near the ground state. Different isomers hold different magnetic moment. The stability study shows that among the investigated clusters, the hexamer one is the most stable and is the magic cluster. Dissociation channels energy are also studied.

Keywords: Cobalt clusters; pseudopotentials; density functional theory; density of states; stability (search for similar items in EconPapers)
Date: 2011
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DOI: 10.1142/S0129183111016336

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