Katalin Gaal-Nagy

Phone number: +39 02 50 31 74 13 Fax number: +39 02 50 31 74 82 E-mail address: katalin.gaal-nagy@physik.uni-regensburg.de Personal web-site: ... one day it might exist ;-)

Scientific interests

Ab-initio investigations of

• optical properties (DFT-IPA, TDDFT, GW)
• phonons and dynamical properties (DFPT)

... of Clusters, Surfaces, and Solids

• surface reconstructions of vicinal surfaces
• high-pressure phase transitions in silicon and germanium

Curriculum vitae

... my scientific CV you can find here!
... CV europass you can find here!

Selected publications

• Temperature and Dynamical Effects on the High-Pressure Cubic-Diamond <-> beta-Tin Phase transition in Si and Ge
  K. Gaal-Nagy, A. Bauer, M. Schmitt, K. Karch, P. Pavone, and D. Strauch
  Phys. Stat. Sol. (b) 211 , 275 (1999).
• Ab initio study of the high-pressure phase transition from the cubic-diamond to the beta-tin structure of Si
  K. Gaal-Nagy, M. Schmitt, P. Pavone, and D. Strauch
  Comput. Mat. Science 22 , 49 (2001).
• Ab initio study of the enthalpy barriers of the high-pressure phase transition from the cubic-diamond to the beta-tin structure of silicon and germanium
  K. Gaal-Nagy, A. Bauer, P. Pavone, and D. Strauch
  Comput. Mat. Science 30 , 1 (2004).
• Ab initio study of the Imma phase in Silicon
  K. Gaal-Nagy and D. Strauch
  Comput. Mat. Science 30 , 8 (2004).
• Ab initio study of the beta-tin -> Imma -> sh phase transitions in silicon and germanium
  Katalin Gaal-Nagy, Pasquale Pavone and Dieter Strauch
  Phys. Rev. B 69, 134112 (2004).
• Druckinduzierte Phasenuebergaenge in Halbleitern mit Ab-initio-Methoden
  Katalin Gaal-Nagy
  PhD tesis (2004), in german language
• Phonons in the beta-tin, Imma, and sh phases of Silicon from ab initio calculations
  Katalin Gaal-Nagy and Dieter Strauch
  Phys. Rev. B 73 , 014117 (2006).
• Transition pressures and enthalpy barriers for the cubic-diamond -> beta-tin transition in Si and Ge under non-hydrostatic conditions
  Katalin Gaal-Nagy and Dieter Strauch
  Phys. Rev. B 73 , 134101 (2006).
• Ab-initio calculations of the optical properties of the Si(113)3x2ADI surface
  Katalin Gaal-Nagy and Giovanni Onida
  Phys. Rev. B 75 , 155331 (2007).
• Dielectric function of the Si(113)3x2ADI surface from ab-initio methods
  Katalin Gaal-Nagy and Giovanni Onida
  in Epioptics-9, edited by A. Cricenti, (World Scientific, Singapore), in press, see cond-mat/0611121.
• First Principle Study of Silicon Nanocrystals: Structural and Electronic Properties, Absorption, Emission and Doping
  S. Ossicini, O. Bisi, E. Degoli, I. Marri, F. Iori, E. Luppi, R. Magri, R. Poli, G. Cantele, D. Ninno, F. Trani, M. Marsili, O. Pulci, M. Gatti, K. Ga\'al-Nagy, A. Incze, G. Onida, and V. Olevano
  Jour. Nanoscience and Nanotechnology 10 , 1 (2007)
• Ab-initio calculation of phonon dispersion curves: accelerating q point convergence
  Katalin Gaal-Nagy
  Phys. Rev. B 77 , 024309 (2008).