Abstract
In this work we present results of ab-initio investigation atomic structures and magnetic properties of Cobalt-based full-Heusler compounds with composition Co2YZ by using VASP software package. The lattice parameters of Co2FeA1(CFA), Co2FeSi(CFS), Co2FeAl0.5Si0.5 (CFAS) Heusler alloys depending on the parameters of convergence are calculated. Investigation of CFA and CFS alloys in B2-type and L21-type structures with determination of their energy efficiency of the formation are carried out. The values of the magnetic moment of CFAS atoms in the bulk and in CFAS/Ag(100)/CFAS multilayer structure taking into account the relaxation effects are determined.
Published Version (
Free)
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call