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Discovery of a silicon-based ferrimagnetic wheel structure in VxSi12- (x=1-3) clusters: photoelectron spectroscopy and density functional theory investigation

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Indexed by:期刊论文

Date of Publication:2014-12-21

Journal:NANOSCALE

Included Journals:SCIE、PubMed、Scopus

Volume:6

Issue:24

Page Number:14617-14621

ISSN No.:2040-3364

Abstract:Our studies show that VSi12- adopts a V-centered hexagonal prism with a singlet spin state. The addition of the second V atom leads to a capped hexagonal antiprism for V2Si12- in a doublet spin state. Most interestingly, V3Si12- exhibits a ferrimagnetic, bicapped hexagonal antiprism wheel-like structure with a total spin of 4 mu(B).

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