Phys. Rev. B 37, 656 (1988)

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Ground state of the strong-coupling Hubbard Hamiltonian: A numerical diagonalization study

Efthimios Kaxiras

IBM Research Division, Thomas J. Watson Research Center, Yorktown Heights, New York, 10598

Efstratios Manousakis

Supercomputer Computations Research Institute, Florida State University, Tallahassee, Florida 32306

We exactly diagonalize the effective Hamiltonian obtained from the Hubbard model in the strong-coupling limit for a two-dimensional sqrt 10 x sqrt 10 size square lattice. The effective Hamiltonian operates on a restricted Hilbert space containing only states with singly occupied sites, which makes the diagonalization possible within reasonable computational time for the above lattice. The ground-state energy and wave function are obtained for several values of the coupling ratio t/U and the doping fraction x. We find three different phases in the (x,t/U) phase diagram: The first is characterized by antiferromagnetic long-range order and the second and third by antiferromagnetic and ferromagnetic short-range correlation, respectively. We comment on the possible relevance of the results to the recently discovered high-temperature copper-oxide superconductors.

©1988 The American Physical Society.

PACS: 75.10.Jm 74.20.-z

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