activity
19992021
most citedStructural, electronic, and optical properties of ZrO2 from ab initio calculations

203 citations · 428 across the 11 of their papers we have counts for

collaborators

11 papers

cond-mat.mtrl-sci2021

Hot Electron Dynamics in Zincblende and Wurtzite GaN

Clóves Gonçalves Rodrigues, Valder N. Freire, Áurea R. Vasconcellos +1

A theoretical investigation of the excess energy dissipation of highly excited photoinjected electrons in both wurtzite and zincblende GaN is presented. The calculations are perfor…

cond-mat.mtrl-sci2021

Mobility in N-Doped Wurtzite III-Nitrides

Clóves Gonçalves Rodrigues, Valder N. Freire, Áurea R. Vasconcellos +1

A study of the mobility of n-doped wurtzite III-Nitrides is reported. We have determined the nonequilibrium thermodynamic state of the III-Nitrides systems, driven far away from eq…

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.mtrl-sci2009★ 26 cited

Defects in Graphene-Based Twisted Nanoribbons: Structural, Electronic and Optical Properties

Ewerton W. S. Caetano, Valder N. Freire, Sergio G. dos Santos +3

We present some computational simulations of graphene-based nanoribbons with a number of half-twists varying from 0 to 4 and two types of defects obtained by removing a single carb…

cond-mat.mtrl-sci2009★ 58 cited

Möbius and twisted graphene nanoribbons: stability, geometry and electronic properties

Ewerton W. S. Caetano, Valder N. Freire, Sergio G. dos Santos +2

Results of classical force field geometry optimizations for twisted graphene nanoribbons with a number of twists varying from 0 to 7 (the case =1 corresponds to a half-t…

cond-mat.mtrl-sci2006★ 39 cited

An Improved Description of the Dielectric Breakdown in Oxides Based on a Generalized Weibull distribution

U. M. S. Costa, V. N. Freire, L. C. Malacarne +4

In this work, we address modal parameter fluctuations in statistical distributions describing charge-to-breakdown and/or time-to-breakdown during the dielectr…

cond-mat2001★ 3 cited

Exciton trapping in magnetic wire structures

J. A. K. Freire, F. M. Peeters, V. N. Freire +1

The lateral magnetic confinement of quasi two-dimensional excitons into wire like structures is studied. Spin effects are take into account and two different magnetic field profile…

cond-mat2000★ 13 cited

Fine structure of excitons in a quantum well in the presence of a nonhomogeneous magnetic field

J. A. K. Freire, F. M. Peeters, A. Matulis +2

The trapping of excitons in a semiconductor quantum well due to a circular symmetric nonhomogeneous magnetic field is studied. The effect of the spin state of the exciton on its tr…

cond-mat1999★ 22 cited

Confinement of two-dimensional excitons in a non-homogeneous magnetic field

J. A. K. Freire, A. Matulis, F. M. Peeters +2

The effective Hamiltonian describing the motion of an exciton in an external non-homogeneous magnetic field is derived. The magnetic field plays the role of an effective potential…