59 citations · 168 across the 8 of their papers we have counts for
8 papers
Brazilian physicists community diversity, equity and inclusion: a first diagnostic
Celia Anteneodo, Carolina Brito, Alan Alves-Brito +3
We report the results of a survey applied to students and professionals in the area of physics in Brazil, pursuing to draw a portrait of the composition of this community in terms…
Magnetic states of linear defects in graphene monolayers: effects of strain and interaction
Simone S. Alexandre, R. W. Nunes
The combined effects of defect-defect interaction and of uniaxial or biaxial strains of up to 10\% on the development of magnetic states on the defect-core-localized quasi-one-dime…
Theoretical chemistry of -graphyne: functionalization, symmetry breaking, and generation of Dirac-fermion mass
R. Longuinhos, E. A. Moujaes, S. S. Alexandre +1
We investigate the electronic structure and lattice stability of pristine and functionalized (with either hydrogen or oxygen) -graphyne systems. We identify lattice instabilitie…
Room temperature compressibility and diffusivity of liquid water from first principles
Fabiano Corsetti, Emilio Artacho, José M. Soler +2
The isothermal compressibility of water is essential to understand its anomalous properties. We compute it by ab initio molecular dynamics simulations of 200 molecules at five dens…
Stability of extended defects on boron nitride and graphene monolayers: the role of chemical environment
L. C. Gomes, S. S. Alexandre, H. Chacham +1
We perform ab initio calculations that indicate that the relative stability of antiphase boundaries (APB) with armchair and zigzag chiralities in monolayer boron nitride (BN) is de…
Correlated magnetic states in domain and grain boundaries in graphene
Simone S. Alexandre, A. D. Lucio, A. H. Castro Neto +1
Ab initio calculations indicate that while the electronic states introduced by grain boundaries in graphene are only partially confined to the defect core, a domain boundary introd…