Electronic Structure of Superoxygenated LaNiO Domains with Ordered Oxygen Interstitials.

The electronic structures of LaNiO, where additional interstitial oxygens are forming stripes along (1,1,0), are presented. Spin-polarized calculations show that ferromagnetism on Ni sites is reduced near the stripes and enhanced far from the stripes. Totally, the magnetic moment becomes reduced because of interstitial oxygens. It is suggested that the oxygen interstitial concentration in oxygen-rich domains in nickelates suppress magnetism and give multiband metallic domains. [ABSTRACT FROM AUTHOR]