منابع مشابه
How metallic are small sodium clusters?
Cryogenic cluster beam experiments have provided crucial insights into the evolution of the metallic state from the atom to the bulk. Surprisingly, one of the most fundamental metallic properties, the ability of a metal to efficiently screen electric fields, is still poorly understood in small clusters. Theory has predicted that many small Na clusters are unable to screen charge inhomogeneities...
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Clusters in the (Be, B, C)@Si(n)((0,1,2+)) (n = 6-10) series, isoelectronic to Si(n)(2-), present multiple symmetric structures, including rings, cages and open structures, which the doping atom stabilizes using contrasting bonding mechanisms. The most striking feature of these clusters is the absence of electron transfer (for Be) or even the inversion (for B and C) in comparison to classic end...
متن کاملMetallic evolution of small magnesium clusters
Structural and electronic properties of small magnesium clusters (N ≤ 13) are studied using a first-principles simulation method in conjunction with the density functional theory and generalized gradient correction approximation for the exchange-correlation energy functional. It is observed that the onset of metallization of magnesium clusters is hard to assign since both the s-p hybridization ...
متن کاملOptical response of small closed-shell sodium clusters.
Absorption spectra of closed-shell Na(2), Na(3) (+), Na(4), Na(5) (+), Na(6), Na(7) (+), and Na(8) clusters are calculated using a complex Bethe-Salpeter equation derived using a conserving linear response method. In the framework of a quasiparticle approach, we determine electron-hole correlations in the presence of an external field. The calculated results are in excellent agreement with expe...
متن کامل2 00 1 Structure and properties of small sodium clusters
We have investigated structure and properties of small metal clusters using all-electron ab initio theoretical methods based on the Hartree-Fock approximation and density functional theory, perturbation theory and compared results of our calculations with the available experimental data and the results of other theoretical works. We have systematically calculated the optimized geometries of neu...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2011
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.106.043401