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.

Abstract

We show how to calculate isotropic Compton profiles from sets of profiles along so-called "special directions" in the Brillouin zone computed from densityfunctional 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.Keywords: Compton scattering, special directions in the Brillouin zone, isotropic A recently published paper by Bhatt et al. [1] has applied the technique of magnetic Compton scattering to probe the spin-density of electrons in momentum space [2]. The sensitivity to the spin-magnetic moment, and the fact that its origin can be determined (because electrons in different orbitals will have different momentum distributions) make it a powerful tool for probing magnetism in materials [2]. When Compton scattering is applied to experiments performed on single crystals, it can provide detailed and often unique information about the ground state electronic wavefunction [3] and the Fermi surface [4,5,6].