activity
20042025
most citedStructural, electronic, and optical properties of ZrO2 from ab initio calculations

203 citations · 281 across the 5 of their papers we have counts for

collaborators

5 papers

cond-mat.mtrl-sci2025

Self-trapped holes and acceptor impurities in orthorhombic Ga2O3

Eric Welch, Nathan Rabelo Martins, Luisa Scolfaro +2

The electronic and optical properties of self-trapped holes in kappa-phase orthorhombic Ga2O3 in conjunction with isoelectronic and acceptor dopants were studied using hybrid densi…

cond-mat.mtrl-sci2012★ 21 cited

Band structure derived properties of HfO2 from first principles calculations

Joelson Cott Garcia, A. T. Lino, L. M. R. Scolfaro +4

The electronic band structures and optical properties of cubic, tetragonal, and monoclinic phases of HfO2 are calculated using the first-principles linear augmented plane-wave meth…

cond-mat.mtrl-sci2012★ 43 cited

Effective masses and complex dielectric function of cubic HfO2

Joelson Cott Garcia, L. M. R. Scolfaro, J. R. Leite +4

The electronic band structure of cubic HfO2 is calculated using an it ab initio all-electron self--consistent linear augmented plane-wave method, within the framework of the local-…

cond-mat.mtrl-sci2012★ 203 cited

Structural, electronic, and optical properties of ZrO2 from ab initio calculations

Joelson Cott Garcia, L. M. R. Scolfaro, A. T. Lino +6

Structural, electronic, and optical properties for the cubic, tetragonal, and monoclinic crystalline phases of ZrO2, as derived from it ab initio full-relativistic calculations, ar…

cond-mat.other2004★ 14 cited

Charge and spin distributions in GaMnAs/GaAs Ferromagnetic Multilayers

S. C. P. Rodrigues, L. M. R. Scolfaro, J. R. Leite +3

A self-consistent electronic structure calculation based on the Luttinger-Kohn model is performed on GaMnAs/GaAs multilayers. The Diluted Magnetic Semiconductor layers are assumed…