Electronic and magnetic transitions in a multiband model for La2NiO4

Mahadevan, Priya ; Sheshadri, K. ; Sarma, D. D. ; Krishnamurthy, H. R. ; Pandit, Rahul (1997) Electronic and magnetic transitions in a multiband model for La2NiO4 Physical Review B, 55 (15). pp. 9203-9206. ISSN 0163-1829

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Official URL: http://link.aps.org/doi/10.1103/PhysRevB.55.9203

Related URL: http://dx.doi.org/10.1103/PhysRevB.55.9203


The transition-metal oxide La2NiO4 is studied using a multiband Hubbard model with a Hund coupling J. We obtain its mean-field phase diagram in the U- (correlation strength on Ni sites) Δ (charge-transfer energy) plane. For J=0 we have a continuous transition from a paramagnetic metal (PMM) to a paramagnetic insulator (PMI). On increasing J, the magnetic moment M and the band gap EG change discontinuously at J=Jc(U,Δ). For J=1, the insulating phase (AFI) is antiferromagnetic, but we have, in addition, both paramagnetic (PMM) and antiferromagnetic (AFM) metallic phases. The insulator-metal (AFI-AFM and AFI-PMM) phase boundaries are first order, but the metal-metal (AFM-PMM) boundary 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.

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