Charge ordering and magnetism in quarter-filled Hubbard-Holstein model

Kumar, Sanjeev and Brink van den, Jeroen (2008) Charge ordering and magnetism in quarter-filled Hubbard-Holstein model. Physical Review B: Condensed matter and materials physics, 78 (15). p. 155123. ISSN 1098-0121

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Abstract:	We study a two-dimensional Hubbard-Holstein model with phonons treated in the adiabatic limit. A Hartree-Fock decomposition is employed for the Hubbard term. A range of electronic densities are discussed with special emphasis on the quarter filling (n=0.5). We argue that the quarter-filled system is relevant for the electronic properties observed at the interface between LaAlO3 and SrTiO3, where half-electron per unit cell is transferred to the TiO2 layer as a consequence of the polar discontinuity at the interface. In addition to presenting the overall phase diagrams, we identify an interesting charge-ordered antiferromagnetic phase for n=0.5, which was also reported recently in the ab initio study of the LaAlO3-SrTiO3 interface.
Item Type:	Article
Copyright:	© 2008 The American Physical Society
Research Group:	Computational Materials Science (CMS)
Link to this item:	http://purl.utwente.nl/publications/59927
Official URL:	http://dx.doi.org/10.1103/PhysRevB.78.155123
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