P. Mahadevan et al., ELECTRONIC AND MAGNETIC TRANSITIONS IN A MULTIBAND MODEL FOR LA2NIO4, Physical review. B, Condensed matter, 55(15), 1997, pp. 9203-9206
The transition-metal oxide La2NiO4 is studied using a multiband Hubbar
d model with a Hund coupling J. We obtain its mean-field phase diagram
in the U- (correlation strength on Ni sites) Delta (charge-transfer e
nergy) plane. For J=0 we have a continuous transition from a paramagne
tic metal (PMM) to a paramagnetic insulator (PMI). On increasing J, th
e magnetic moment M and the band gap E-G change discontinuously at J=J
(c)(U,Delta). For J=1, the insulating phase (AFI) is antiferromagnetic
, but we have, in addition, both paramagnetic (PMM) and antiferromagne
tic (AFM) metallic phases. The insulator-metal (AFI-AFM and AFI-PMM) p
hase boundaries are first order, but the metal-metal (AFM-PMM) boundar
y is second order; and it seems to meet the first-order boundary at a
critical end point. A reentrant PMM-AFM-PMM sequence is also seen.