most citedOn the stability of "non-magic" endohedrally doped Si clusters: A first-principles sampling study of MSi16^+ (M =Ti,V,Cr)

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cond-mat.mes-hall2010

Structural Metastability of Endohedral Silicon Fullerenes

Alex Willand, Matthias Gramzow, S. Alireza Ghasemi +4

Endohedrally doped Si20 fullerenes appear as appealing building blocks for nanoscale materials. We investigate their structural stability with an unbiased and systematic global geo…