141 citations · 146 across the 5 of their papers we have counts for
5 papers
Chemical functionalization, electronic and dielectric properties of hybrid organic-tin layers
Andre Oliveira, Andreia Luisa da Rosa, Thomas Frauenheim
Band gap tuning and dielectric properties of small organic ligands adsorbed on tin monolayers (stanene) have been investigated using first-principles calculations. Charge density a…
Tuning electronic and optical properties of bismuth monolayers by molecular adsorption
Erika N. Lima, Andreia L. da Rosa, Renato. B. Pontes +3
We perform first-principles calculations of electronic and dielectric properties of bismuthene functionalized with small ligands using first-principle calculations. We show that al…
Electronic, optical and charge transfer properties of topologically protected states in hybrid bismuthene layers
Erika Nascimento Lima, Andreia Luisa da Rosa, Renato Borges Pontes +4
We have performed first-principles calculations of electronic and dielectric properties of single-layer bismuth (bismuthene) adsorbed with -COOH. We show that the Bi-COOH hybrid st…
Electronic structure of gadolinium complexes in ZnO in the GW approximation
A. L. Rosa, Th. Frauenheim
The role of intrinsic defects has been investigated to determine binding energies and the electronic structure of Gd complexes in ZnO. We use density-functional theory and the GW m…
Resonant electron heating and molecular phonon cooling in single C junctions
G. Schulze, K. J. Franke, A. Gagliardi +8
We study heating and heat dissipation of a single \c60 molecule in the junction of a scanning tunneling microscope (STM) by measuring the electron current required to thermally dec…