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3 papers
Electronic structure of nanocones of boron nitrite
Sergio Azevedo, Mario S. C. Mazzoni, H. Chacham +1
We apply first-principles calculations to study the electronic structure of boron nitride nanocones with disclinations of different angles . Nanocones with odd values of $n…
Stability of antiphase line defects in nanometer-sized boron-nitride cones
Sergio Azevedo, Mario S. C. Mazzoni, Ricardo W. Nunes +1
We investigate the stability of boron nitride conical sheets of nanometer size, using first-principles calculations. Our results indicate that cones with an antiphase boundary (a l…
Electromechanical Effects in Carbon Nanotubes
M. Verissimo-Alves, Belita Koiller, H. Chacham +1
We perform ab initio calculations of charged graphene and single-wall carbon nanotubes (CNTs). A wealth of electromechanical behaviors is obtained: (1) Both nanotubes and graphene…