Effects of Ni cation substitution on the copper sites are examined in the Y-Ba-Cu-O system in the concentration range 0 x 0.15. The ferromagnetic and two types of antiferromagnetic substitution are considered for both copper sublattices. Pronounced differences between these types of doping in terms of partial densities of state (DOS), the Fermi level, and the DOS at the Fermi level are found only in the case when the Cu(1) sublattice is doped. The calculated x-ray emission and x-ray photoemission spectra show distinct differences between chain or plane alloying; however, they are clearly too insensitive to provide information about the preferred type of the magnetic arrangement.
ASJC Scopus subject areas
- Condensed Matter Physics