GroupTheory`
GroupTheory`
GTPwModelPotential
GTPwModelPotential[wavevector, ionp, screening,scaling,model]
calculates for wavevector the screening of a bare ionic potential, described by ionp. screening defines a screening function and scaling a scaling function. model defines the model potential.
Details and Options
- 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, Selfconsistent 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 wurtzite 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 calculations, 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)