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5 papers
Chemical Control of Electronic Structure and Topology in Tellurium-Encapsulated Silicene
Gabriel Elyas Gama Araujo, Andre Luis de Oliveira Batista, Willian Oliveira Santos +3
We investigate chemical control of the electronic, optical, and topological properties of two-dimensional \ce{Si2X2Te2} (\ce{X} = \ce{B}, \ce{Al}, \ce{Ga}, and \ce{In}) monolayers…
Exciton dynamics and high-temperature excitonic superfluidity in S-doped graphyne
Enesio Marinho, Alexandre C. Dias, Luiz A. Ribeiro +2
S-doped graphyne (S-GY) is a recently synthesized two-dimensional graphyne-based carbon allotrope that provides a promising platform for exciton engineering and coherent many-body…
Flat bands in ultra-wide gap two-dimensional germanium dioxide
Rafael Franco Ribeiro Reis, Gabriel Elyas Gama Araujo, Danilo Kuritza +3
We employ first principles density-functional theory (DFT) and the Bethe-Salpeter equation (BSE) in the framework of tight-binding based maximally localized Wannier functions (MLWF…
Electronic and optical and topological properties of defects in bismuthene
Gabriel Elyas Gama Araujo, Andreia Luisa da Rosa, Alexandre Cavalheiro Dias +1
In this work we use first principles density-functional theory and Bethe-Salpeter equation together with tight-binding based maximally localized wannier functions (MLWF-TB) to inve…
Electronic and optical properties of two-dimensional flat band triphosphides
Gabriel Elyas Gama Araujo, Lucca Moraes Gomes, Dominike Pacine de Andrade Deus +2
In this work we use first-principles density-functional theory (DFT) calculations combined with the maximally localized Wannier function tight binding Hamiltonian (MLWF-TB) and Bet…