Eigenstate fitting in the k · p method

H. López, A. N. Chantis, J. Suñé, Xavier Cartoixà

Research output: Contribution to journalArticleResearchpeer-review

1 Citation (Scopus)


We present a study of the decomposition of the conduction band (CB) eigenstates in terms of the Brillouin zone center solutions. The methods we use for the decomposition are, ranging from more empirical to more first-principle, a 40-band tight binding model, the empirical pseudopotential method and a quasiparticle self-consistent GW (QPscGW). We observe that on the order of 20 bands are needed to obtain a good description of the CB in the full zone. We extract univocally from those calculations the interband momentum matrix elements, useful for k · p models. Therefore, we can construct Hamiltonians that reproduce the correct components of the CB eigenstates, which is needed for the calculation of optical properties and spin dynamics, to name a few. © Springer Science+Business Media LLC 2007.
Original languageEnglish
Pages (from-to)195-198
JournalJournal of Computational Electronics
Publication statusPublished - 1 Sep 2007


  • Band structure
  • Effective mass approximation
  • Envelope function
  • Semiconductors

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