A density-functional study of the possibility of noncollinear magnetism in small Mn clusters using SIESTA and the generalized gradient approximation to exchange and correlation

We investigated the possibility of noncollinear magnetism in small Mn(n) clusters (n=2-6) using the density-functional method SIESTA with the generalized gradient approximation (GGA) to exchange and correlation. The lowest-energy states identified were collinear, with the atomic spin magnetic moment...

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Veröffentlicht in:	The Journal of chemical physics 2008-03, Vol.128 (11), p.114315-114315
Hauptverfasser:	Longo, R C, Alemany, M M G, Ferrer, J, Vega, A, Gallego, L J
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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