7.4k citations · 8.9k across the 14 of their papers we have counts for
55 papers
Defects and oxidation resilience in
KaiJian Xiao, Alexandra Sarabando de Carvalho, Antonio Helio Castro Neto
We use density functional theory to study intrinsic defects and oxygen related defects in indium selenide. We find that is prone to oxidation, but however not reacting wit…
2D materials and van der Waals heterostructures
K. S. Novoselov, A. Mishchenko, A. Carvalho +1
The physics of two-dimensional (2D) materials and heterostructures based on such crystals has been developing extremely fast. With new 2D materials, truly 2D physics has started to…
Quantum transport and observation of Dyakonov-Perel spin-orbit scattering in monolayer MoS
H. Schmidt, I. Yudhistira, L. Chu +4
Monolayers of group 6 transition metal dichalcogenides are promising candidates for future spin-, valley-, and charge-based applications. Quantum transport in these materials refle…
Pseudomagnetic fields in graphene nanobubbles of constrained geometry: A molecular dynamics study
Zenan Qi, Alexander L. Kitt, Harold S. Park +3
Analysis of the strain-induced pseudomagnetic fields (PMFs) generated in graphene nanobulges under three different substrate scenarios shows that, in addition to the shape, the gra…
Effective contact model for geometry-independent conductance calculations in graphene
D. A. Bahamon, A. H. Castro Neto, Vitor M. Pereira
A geometry-independent effective model for the contact self-energies is proposed to calculate the quantum conductance of patterned graphene devices using Green's functions. A Corbi…
Resonant tunneling in graphene pseudomagnetic quantum dots
Zenan Qi, D. A. Bahamon, Vitor M. Pereira +3
Realistic relaxed configurations of triaxially strained graphene quantum dots are obtained from unbiased atomistic mechanical simulations. The local electronic structure and quantu…