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Phys. Rev. B 73, 094429 (2006) [15 pages]

Microscopic origin of diagonal stripe phases in doped nickelates

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Marcin Raczkowski
Marian Smoluchowski Institute of Physics, Jagellonian University, Reymonta 4, PL-30059 Kraków, Poland and Laboratoire CRISMAT, UMR 6508 CNRS-ENSICAEN, 6, Boulevard du Maréchal Juin, 14050 CAEN Cedex, France

Raymond Frésard
Laboratoire CRISMAT, UMR 6508 CNRS-ENSICAEN, 6, Boulevard du Maréchal Juin, 14050 CAEN Cedex, France

Andrzej M. Ole

Marian Smoluchowski Institute of Physics, Jagellonian University, Reymonta 4, PL-30059 Kraków, Poland

Received 22 December 2005; published 22 March 2006

Weinvestigate the electron density distribution and the stability of stripephases in a realistic two-band model with hopping elements betweene_g orbitals at Ni sites on the square lattice, andcompare these results with those obtained for the doubly degenerateHubbard model with two equivalent orbitals and diagonal hopping. Forboth models we determine the stability regions of filled andhalf-filled stripe phases for increasing hole doping x=2–n in therange of x<0.4, using the Hartree-Fock approximation for large clusters.In the parameter range relevant to the nickelates, we obtainthe most stable diagonal stripe structures with filling of nearlyone hole per atom, as observed experimentally. In contrast, forthe doubly degenerate Hubbard model the most stable stripes aresomewhat reminiscent of the cuprates, with half-filled orbitals at thedomain wall sites. This difference elucidates the crucial role ofthe off-diagonal e_g hopping terms for the stripe formation inLa_2–xSr_xNiO₄. The influence of the crystal field is discussed aswell.

URL:	http://link.aps.org/doi/10.1103/PhysRevB.73.094429
DOI:	10.1103/PhysRevB.73.094429
PACS:	75.30.Kz; 71.10.Fd; 75.10.Lp; 75.50.Ee 75.30.Kz Magnetic phase boundaries including magnetic transitions, metamagnetism, etc 71.10.Fd Lattice fermion models (condensed matter) including Hubbard model, etc 75.10.Lp Band and itinerant models (magnetism) 75.50.Ee Antiferromagnetics YEAR: 2006
KEYWORDS:	lanthanum compounds, strontium compounds, HF calculations, Hubbard model, crystal field interactions

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