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Oscillating spin-density pattern in gold metallocene and phthalocyanine molecules

AuthorsCarrascal, Diego ; Fernández-Seivane, L. ; Ferrer, Jaime
Issue Date2009
PublisherAmerican Physical Society
CitationPhysical Review B 80(18): 184415 (2009)
AbstractWe present a theoretical study of the magnetic properties of the spin-1/2 dicyclopentadienyl metallocene (M Cp2) and phthalocyanine molecules that contain the transition-metal atoms M=Co, Cu, and Au. We find that the spin-density pattern of gold molecules shows a fully delocalized and oscillating behavior. This spin pattern is to be contrasted with the well-known cases of cobalt or iron molecules, where the magnetic moment is strongly localized at the transition-metal ion. © 2009 The American Physical Society.
Publisher version (URL)http://dx.doi.org/10.1103/PhysRevB.80.184415
Identifiersdoi: 10.1103/PhysRevB.80.184415
issn: 1098-0121
e-issn: 1550-235X
Appears in Collections:(CINN) Artículos
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