Momentum densities and Compton profiles of diamond, silicon and silicon carbide

A. Seth*, D. E. Ellis

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

38 Scopus citations

Abstract

Momentum densities and Compton profiles were calculated for the tetrahedral semiconductors diamond, silicon carbide and silicon, making use of approximate Hartree-Fock-Slater crystal wavefunctions. Reasonable agreement is found with available experimental data and also with the calculations of Wepfer, et al. (1974) on diamond. Anisotropies of momentum densities and Compton profiles are analysed by means of spherical harmonic expansions. Although the spherical components are remarkably similar when scaled according to lattice momentum 2 pi /a, the anisotropic components of the three crystals show distinctive features.

Original languageEnglish (US)
Article number006
Pages (from-to)181-194
Number of pages14
JournalJournal of Physics C: Solid State Physics
Volume10
Issue number2
DOIs
StatePublished - Dec 1 1977

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physics and Astronomy(all)

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