142 citations · 333 across the 8 of their papers we have counts for
8 papers
A tight-binding model for the band dispersion in rhombohedral topological insulators over the whole Brilluoin zone
Carlos Mera Acosta, Matheus P. Lima, Antonio J. R. da Silva +2
We put forward a tight-binding model for rhombohedral topological insulators materials with the space group . The model describes the bulk band structure of…
Edge effects in Bilayer Graphene Nanoribbons
Matheus P. Lima, A. Fazzio, Antônio J. R. da Silva
We show that the ground state of zigzag bilayer graphene nanoribbons is non-magnetic. It also possesses a finite gap, which has a non-monotonic dependence with the width as a conse…
Theoretical study of N-complexes in carbon nanotubes
Mariana Rossi, Adalberto Fazzio, Antonio J. R. da Silva
We have made a systematic theoretical study to determine which are the most stable structures for substitutional nitrogen defects in carbon nanotubes, by making total energy calcul…
Disorder and the effective Mn-Mn exchange interaction in GaMnAs diluted magnetic semiconductors
Antonio J. R. da Silva, A. Fazzio, Raimundo R. dos Santos +1
We perform a theoretical study, using {\it ab initio} total energy density-functional calculations, of the effects of disorder on the exchange interactions for $Ga_{1-x}Mn_…
Band structure model of magnetic coupling in semiconductors
Gustavo M. Dalpian, Su-Huai Wei, X. G. Gong +2
We present a unified band structure model to explain magnetic ordering in Mn-doped semiconductors. This model is based on the - and - level repulsions between the Mn io…
Diffusion-reaction mechanisms of nitriding species in SiO2
W. Orellana, Antonio J. R. da Silva, A. Fazzio
We study using first-principles total-energy calculations, diffusion-reaction processes involved in the thermal nitridation of SiO2. We consider NO, NH, N2 and atomic N in differen…