3 papers
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…
First-principles calculation of electronic and topological properties of low-dimensional tellurium
Gabriel Elyas Gama Araujo, Andreia Luisa da Rosa
We present a comprehensive first-principles investigation of the structural, electronic, vibrational, and topological properties of tellurium across its dimensional hierarchy, incl…
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…