1999/03/15 by В. И. Анисимов, D.V. Bukhvalov, T. M. Rice · 412 citations
Materials Science · Physics and Astronomy · Chemistry · #Magnetic and transport properties of perovskites and related materials #Rare-earth and actinide compounds #Physics of Superconductivity and Magnetism #Cuprate #Spins #Condensed matter physics #Nickel #Superconductivity #Valence (chemistry) #Ion #Materials science #Electronic structure #Oxidation state #Physics #Crystallography #Chemistry #Quantum mechanics
paper · doi:10.1103/physrevb.59.7901
published in Physical review. B, Condensed matter 59(12), 7901-7906 (American Physical Society)
openalex publication_date 1999/03/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/08
The electronic structure of various nickel oxides with nickel valence varying from 1+ to 3+ was investigated with the aim to find similarities and differences to the isoelectronic cuprates. Only if the Ni ions are forced into a planar coordination with the O ions can a S=1/2 magnetic insulator be realized with the difficult Ni+ oxidation state and possibly doped with low spin (S=0)Ni2+ holes directly analogous to the superconducting cuprates. The more common Ni3+ oxidation state cannot be used to make a parent magnetic insulator as it forms rather as localized S=1 Ni2+ embedded in a sea of itinerant O holes. Strong coupling of these holes to the localized spins via 2p\ensuremath-3d hybridization leads to a heavy-fermion system with a large Kondo temperature, which was confirmed experimentally for LaNiO3.