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000302079 0247_ $$2doi$$a10.1103/PhysRevB.91.075128
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000302079 1001_ $$0P:(DE-H253)PIP1023430$$aSubedi, Alaska$$b0$$eCorresponding author
000302079 245__ $$aLow-energy description of the metal-insulator transition in the rare-earth nickelates
000302079 260__ $$aCollege Park, Md.$$bAPS$$c2015
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000302079 520__ $$aWe  propose  a  simple  theoretical  description  of  the  metal-insulator  transition  of  rare-earth  nickelates.  Thetheory involves only two orbitals per nickel site, corresponding to the low-energy antibonding $e_g$ states. In themonoclinic insulating state, bond-length disproportionation splits the manifold of $e_g$ bands, corresponding to a modulation of the effective on-site energy. We show that, when subject to a local Coulomb repulsion $U$ and Hund’s coupling $J$, the resulting bond-disproportionated state is a paramagnetic insulator for a wide range of interaction parameters. Furthermore, we find that when $U − 3 J$ is small or negative, a spontaneous instability to bond disproportionation takes place for large enough $J$. This minimal theory emphasizes that a small or negativecharge-transfer energy, a large Hund’s coupling, and a strong coupling to bond disproportionation are the key factors underlying the transition. Experimental consequences of this theoretical picture are discussed.
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000302079 7001_ $$0P:(DE-HGF)0$$aPeil, Oleg E.$$b1
000302079 7001_ $$0P:(DE-HGF)0$$aGeorges, Antoine$$b2
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000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.82.3871
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000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/adma.201003241
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000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.80.2397
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000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1006/jssc.1993.1293
000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.61.11263
000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.67.1638
000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.49.7193
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000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.110.126404
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000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.106.016405
000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.84.165119
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000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.56.12847
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000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.70.195104
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000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/0038-1098(91)90915-I
000302079 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.46.6382
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000302079 999C5 $$1P. Blaha$$2Crossref$$oP. Blaha wien2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties 2001$$twien2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties$$y2001
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