Estelina Lora

 

  • Currently as a research grant holder for the FCT PTDC/CTE-GIX/119967/2010 project,Quasi-geostrofic flows of the liquid core of the Earth
  • Former grant: Project FCT PTDC/FIS/102722/2008, Interstitial Hydrogen and Point Defects in High-KOxides

 

 

Research overview

Electronic structure calculations within Density Functional Theory (DFT) Doped silicon nanocrystal

*Triplet state (germanium vacancy) Electronic properties of doped silicon nanocrystals

* Electronic structure and defect levels of doped semiconductors (germanium)

    Prospects

Time-dependent density functional theory (TD-DFT)

* Optical properties of doped silicon nanocrystalsYttria structure

Positron annihilation calculations, based on the two-component DFT

* Native defects in Rare-Earth Sesquioxides

 

Publications

E. L. Silva, A. G. Marinopoulos, R. C. Vilão, R. B. L. Vieira, H. V. Alberto, J. Piroto Duarte, and J. M. Gil, "Hydrogen Impurity in Yttria: Ab-Initio and \muSR perspectives", Physical Review B 85, 165211 (2012), doi:10.1103/PhysRevB.85.165211.

A. Carvalho, J. Coutinho,  M. Barroso, E.L. Silva, S. Öberg, M. Rayson and P.R. Briddon, "Electronic structure modification of Si nanocrystals with F4-TCNQ", Physical Review B 84, 125437 (2011), doi:10.1103/PhysRevB.84.125437.

E.L. Silva, J. Coutinho, A. Carvalho, V.J.B. Torres, M. Barroso, R. Jones, P.R. Briddon, "Electronic Structure of Zn, Cu and Ni impurities in Germanium", Journal of Physics: Condensed Matter 23, 065802 (2011), doi:10.1088/0953-8984/23/6/065802.

A. Carvalho, J. Coutinho, R. Jones, E. Silva, S. Öberg, P.R. Briddon, “Density-Functional Theory Study of Au, Ag and Cu defects in Germanium”, Mat. Sci. Semicond. Process, 11, 340-343 (2008), doi:10.1016/j.mssp.2008.10.007.

Contact

e-mail: elora (at) teor.fis.uc.pt