Comment on “Magnetic Compton scattering study of Laves phase ZrFe2 and Sc doped ZrFe2: Experiment and Green function based relativistic calculations” by Bhatt et al.

Grazyna Kontrym-Sznajd, Stephen Dugdale*

*Corresponding author for this work

Research output: Contribution to journalComment/debate (Academic Journal)

118 Downloads (Pure)

Abstract

We show how to calculate isotropic Compton profiles from sets of profiles along so-called “special directions” in the Brillouin zone computed from density-functional theory calculations, with reference to a recent paper by Bhatt et al. We present the correct formula and demonstrate the power of special directions, highlighting the importance of carefully choosing directions and using the correct weights in obtaining accurate isotropic profiles.

Original languageEnglish
Pages (from-to)798-800
Number of pages3
JournalJournal of Magnetism and Magnetic Materials
Volume475
Early online date11 Jul 2018
DOIs
Publication statusPublished - 1 Apr 2019

Keywords

  • Compton scattering
  • Isotropic
  • Special directions in the Brillouin zone

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