2 papers
cond-mat.mtrl-sci2020
Exploring charge density distribution and electronic properties of hybrid organic-germanium layers
Flavio Bento de Oliveira, Erika Nascimento Lima, Andreia Luisa da Rosa +2
Band gap tuning and dielectric properties of small organic ligands adsorbed on bidimensional germanium monolayers (germanene) have been investigated using first-principles calculat…
cond-mat.mtrl-sci2018
Optoelectronic properties of zinc oxide: A first-principles investigation using the Tran-Blaha modified Becke-Johnson potentia
R. M. V. S. Almeida, A. L. da Rosa, J. S. de Almeida
In this work we use density functional theory (DFT) to investigate the influence of semi-local exchange and correlation effects on the electronic and optical properties of zinc oxi…