95 citations · 115 across the 5 of their papers we have counts for
6 papers · 1 filter
Microscopic theory of ionic motion in solids
Aleksandr Rodin, Keian Noori, Alexandra Carvalho +1
Drag and diffusion of mobile ions in solids are of interest for both purely theoretical and applied scientific communities. This article proposes a theoretical description of ion d…
Computational methods for 2D materials modelling
A. Carvalho, P. E. Trevisanutto, S. Taioli +1
Materials with thickness ranging from a few nanometers to a single atomic layer present unprecedented opportunities to investigate new phases of matter constrained to the two-dimen…
Tunable van Hove Singularities and Correlated States in Twisted Trilayer Graphene
Yanmeng Shi, Shuigang Xu, Mohammed M. Al Ezzi +16
Understanding and tuning correlated states is of great interest and significance to modern condensed matter physics. The recent discovery of unconventional superconductivity and Mo…
Spin-Orbit Dirac Fermions in 2D Systems
Aleksandr S. Rodin, Paul Z. Hanakata, Alexandra Carvalho +3
We propose a novel model for including spin-orbit interactions in buckled two dimensional systems. Our results show that in such systems, intrinsic spin-orbit coupling leads to a f…
Strongly bound Mott-Wannier Excitons in GeS and GeSe monolayers
Lidia C. Gomes, P. E. Trevisanutto, A. Carvalho +2
The excitonic spectra of single layer GeS and GeSe are predicted by ab initio GW-Bethe Salpeter equation calculations. G 0 W 0 calculations for the band structures find a fundament…
Vacancies and oxidation of 2D group-IV monochalcogenides
Lídia C. Gomes, A. Carvalho, A. H. Castro Neto
Point defects in the binary group-IV monochalcogenide monolayers of SnS, SnSe, GeS, GeSe are investigated using density-functional-theory calculations. Several stable configuration…