39 citations · 177 across the 10 of their papers we have counts for
5 papers · 1 filter
Interfaces between buckling phases in Silicene: Ab initio density functional theory calculations
Matheus P. Lima, A. Fazzio, Antonio J. R. da Silva
The buckled structure of silicene leads to the possibility of new kinds of line defects that separate regions with reversed buckled phases. In the present work we show that these n…
Adatoms in graphene as a source of current polarization: Role of the local magnetic moment
Matheus P. Lima, Antônio J. R. da Silva, A. Fazzio
We theoretically investigate spin-resolved currents flowing in large-area graphene, with and without defects, doped with single atoms of noble metals (Cu, Ag and Au) and 3d-transit…
Mimicking Nanoribbon Behavior Using a Graphene Layer on SiC
Matheus P. Lima, A. R. Rocha, Antônio J. R. da Silva +1
We propose a natural way to create quantum-confined regions in graphene in a system that allows large-scale device integration. We show, using first-principles calculations, that a…
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…
Simple implementation of complex functionals: scaled selfconsistency
Matheus P. Lima, Luana S. Pedroza, Antonio J. R. da Silva +4
We explore and compare three approximate schemes allowing simple implementation of complex density functionals by making use of selfconsistent implementation of simpler functionals…