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Type: 
Journal
Description: 
Structure and electronic properties of two unusual boron clusters obtained by fusion of borozene rings have been studied by means of first principles calculations based on the generalized-gradient approximation of the density functional theory. Moreover, a semiempirical tight-binding model has been appropriately calibrated for transport calculations on these clusters. Results show that the pure boron clusters are topologically planar and characterized by (3c–2e) bonds, which can explain, together with the ...
Publisher: 
Springer New York
Publication date: 
21 Oct 2009
Authors: 

G Forte, A La Magna, I Deretzis, R Pucci

Biblio References: 
Volume: 5 Issue: 1 Pages: 158
Origin: 
Nanoscale research letters