229 citations · 1.2k across the 31 of their papers we have counts for
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cond-mat.mtrl-sci2010
Bandgap opening in metallic carbon nanotubes due to silicon impurities
Branden B. Kappes, Cristian V. Ciobanu
Controlling the bandgap of carbon nanostructures is key to the development and mainstream application of carbon-based nanoelectronic devices. We report density functional theory ca…
cond-mat.mtrl-sci2010★ 21 cited
Elastic constants of beta-eucryptite: A density functional theory study
B. Narayanan, I. E. Reimanis, E. R. Fuller +1
The five independent elastic constants of hexagonal -eucryptite have been determined using density functional theory (DFT) total energy calculations. The calculated values agree…