Phase diagram and single-particle spectrum of CuO$_2$ layers within a variational cluster approach to the 3-band Hubbard model

Details Phase diagram and single-particle spectrum of CuO$_2$ layers within a variational cluster approach to the 3-band Hubbard model Phase diagram and single-particle spectrum of CuO$_2$ layers within a variational cluster approach to the 3-band Hubbard model

2009-02-03

arxiv.org/abs/0902.0535v1

New. J. Phys. 11, 055066 (2009)

Physics

Condensed Matter

Strongly Correlated Electrons

14 pages, 15 eps figures

Scientific paper

10.1088/1367-2630/11/5/055066

We carry out a detailed numerical study of the three-band Hubbard model in the underdoped region both in the hole- as well as in the electron-doped case by means of the variational cluster approach. Both the phase diagram and the low-energy single-particle spectrum are very similar to recent results for the single-band Hubbard model with next-nearest-neighbor hoppings. In particular, we obtain a mixed antiferromagnetic+superconducting phase at low doping with a first-order transition to a pure superconducting phase accompanied by phase separation. In the single-particle spectrum a clear Zhang-Rice singlet band with an incoherent and a coherent part can be seen, in which holes enter upon doping around $(\pi/2,\pi/2)$. The latter is very similar to the coherent quasi-particle band crossing the Fermi surface in the single-band model. Doped electrons go instead into the upper Hubbard band, first filling the regions of the Brillouin zone around $(\pi,0)$. This fact can be related to the enhanced robustness of the antiferromagnetic phase as a function of electron doping compared to hole doping.

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