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physics.atm-clus2005★ 6 cited
A Hybrid Density Functional Study of Armchair Si and Ge Nanotubes
Prachi Pradhan, Asok Ray
First principles calculations based on hybrid density functional theory have been used to study the electronic and geometric properties of armchair silicon and germanium nanotubes…
physics.atm-clus2004★ 1 cited
A Density Functional Study of the Structure and Energetics of Small Hetero-Atomic Silicon-Carbon Nanoclusters
Prachi Pradhan, Asok K. Ray
The theoretical formalism of the local density approximation (LDA) to density functional theory (DFT) has been used to study the electronic and geometric structures of SimCn (1<=m,…