Publications (24)
Berry-phase treatment of the homogeneous electric field perturbation in insulators
R. W. Nunes, Xavier Gonze
Non-hexagonal-ring defects and structures induced by strain in graphene and in functionalized graphene
Joice da Silva-Araújo, A. J. M. Nascimento, Hélio Chacham +1
Real-space approach to calculation of electric polarization and dielectric constants
R. W. Nunes, David Vanderbilt
Surface dangling bond states and band-lineups in hydrogen-terminated Si, Ge, and Ge/Si nanowires
R. Kagimura, R. W. Nunes, H. Chacham
Semiconducting chains of gold and silver
Frederico Fioravante, R. W. Nunes
Gap opening in topological-defect lattices in graphene
Joice da Silva-Araújo, H. Chacham, R. W. Nunes
A period-doubled structure for the 90-degree partial dislocation in silicon
J. Bennetto, R. W. Nunes, David Vanderbilt
On the inner Double-Resonance Raman scattering process in bilayer graphene
D. L. Mafra, E. A. Moujaes, R. W. Nunes +1
Core reconstruction of the 90-degree partial dislocation in non-polar semiconductors
R. W. Nunes, J. Bennetto, David Vanderbilt
Topologically-protected metallic states induced by a one-dimensional extended defect in a 2D topological insulator
E. N. Lima, T. M. Schmidt, R. W. Nunes
Complex evolution of the electronic structure from polycrystalline to monocrystalline graphene: generation of a new Dirac point
Joice da Silva Araujo, R. W. Nunes
Stability of extended defects on boron nitride and graphene monolayers: the role of chemical environment
L. C. Gomes, S. S. Alexandre, H. Chacham +1
Models of core reconstruction for the 90-degree partial dislocation in semiconductors
R. W. Nunes, David Vanderbilt
A stacking-fault based microscopic model for platelets in diamond
C. R. Miranda, R. W. Nunes, A. Antonelli
DNA-psoralen: single-molecule experiments and first principles calculations
M. S. Rocha, A. D. Lúcio, S. S. Alexandre +2
Atomic structure of dislocation kinks in silicon
R. W. Nunes, J. Bennetto, David Vanderbilt
Electronic structure of nanocones of boron nitrite
Sergio Azevedo, Mario S. C. Mazzoni, H. Chacham +1
Structure, barriers and relaxation mechanisms of kinks in the 90-degree partial dislocation in silicon
R. W. Nunes, J. Bennetto, David Vanderbilt
Theoretical search for Chevrel phase based thermoelectric materials
R. W. Nunes, I. I. Mazin, D. J. Singh
Theoretical chemistry of $α$-graphyne: functionalization, symmetry breaking, and generation of Dirac-fermion mass
R. Longuinhos, E. A. Moujaes, S. S. Alexandre +1
Stability of the Period-Doubled Core of the 90-degree Partial in Silicon
R. W. Nunes, David Vanderbilt
Generalization of the density-matrix method to a non-orthogonal basis
R. W. Nunes, David Vanderbilt
Magnetic states of linear defects in graphene monolayers: effects of strain and interaction
Simone S. Alexandre, R. W. Nunes
Correlated magnetic states in domain and grain boundaries in graphene
Simone S. Alexandre, A. D. Lucio, A. H. Castro Neto +1