GROUP THEORY SYMBOL

GTPwModelPotential

GTPwModelPotential[wavevector,ionp,screening,scaling,modell] calculates for wavevector the screening of a bare ionic potential, described by ionp. screening defines a screening function and scaling a scaling function. modell defines the model potential.

DetailsDetails

  • The parameter model can be "EmptyCore" or "Heine-Abarenkov".
  • See: W. Hergert, M. Geilhufe, Group Theory in Solid State Physics and Photonics. Problem Solving with Mathematica, chapter 11.1
  • See also for the potentials:
  • G. Böhm, K.Unger, SelfConsisten Calculation of Disorder-Induced Corrections to the VCA Bands-Structures of AlxGa1-xAs and AlxGa1-xP phys. stat. sol. (b) 216, 61 (1999)
  • D. Fritsch, H. Schmidt, M. Grundmann, Band dispersion relations of zinc-blende and wurtzit InN, Phys. Rev. B 69, 165204 (2004)
  • D. Fritsch, H. Schmidt, M. Grundmann, Band structure pseudopotential calculation of zinc-blende and wurtzite AlN, GaN, and InN, Phys. Rev. B 67, 235205 (2003)
  • See for the screening:
  • M.S. Hybertsen, S.G. Louie, Model dielectric matrices for quasiparticle self-energy clculations, Phys. Rev. B 37, 2733(R) (1988)
  • Z.H. Levine, S.G. Louie, New model dielectric function and exchange-correlation potential for semiconductors and insulators, Phys. Rev. B 25, 6310 (1982)