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Physical Review B

Exact bond-ordered ground states and excited states of the generalized Hubbard chain

Masaaki Nakamura, Takayuki Okano, Kazuhito Itoh

Published Sep 27, 2005• 7 citations
Publisher

Abstract

We discuss the exact bond-ordered ground states of the one-dimensional half-filled generalized Hubbard model including three- and four-body terms, by decomposing the Hamiltonian into positive semidefinite parts. The obtained exact ground states are interpreted as N\'eel ordered states on the bond-located electrons. We determine parameter regions of the exact ground states. We also calculate elementary excitation energies as variational approach based on the matrix-product formalism.

DOI
10.1103/physrevb.72.115121

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We show the existence of an exact ground state in certain parameter regimes of one-dimensional half-filled extended Hubbard model with site-off-diagonal interactions. In this ground state, the bond-located spin correlation exhibits a long-range order. In the case when the spin space is SU(2) symmetric, this ground state degenerates with higher spin states including a fully ferromagnetic state. We also discuss the relation between the exact bond-ordered ground state and the critical bond-spin-density-wave phase.
We show the existence of an exact ground state in certain parameter regimes of one-dimensional half-filled extended Hubbard model with site-off-diagonal interactions. In this ground state, the bond-located spin correlation exhibits a long-range order. In the case when the spin space is SU(2) symmetric, this ground state degenerates with higher spin states including a fully ferromagnetic state. We also discuss the relation between the exact bond-ordered ground state and the critical bond-spin-density-wave phase.
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We construct exact ground states of interacting electrons on triangle and diamond Hubbard chains. The construction requires (i) a rewriting of the Hamiltonian into positive semidefinite form, (ii) the construction of a many-electron ground state of this Hamiltonian, and (iii) the proof of the uniqueness of the ground state. This approach works in any dimension, requires no integrability of the model, and only demands sufficiently many microscopic parameters in the Hamiltonian which have to fulfill certain relations. The scheme is first employed to construct exact ground state for the diamond Hubbard chain in a magnetic field. These ground states are found to exhibit a wide range of properties such as flat-band ferromagnetism and correlation induced metallic, half-metallic or insulating behavior, which can be tuned by changing the magnetic flux, local potentials, or electron density. Detailed proofs of the uniqueness of the ground states are presented. By the same technique exact ground states are constructed for triangle Hubbard chains and a one-dimensional periodic Anderson model with nearest-neighbor hybridization. They permit direct comparison with results obtained by variational techniques for f-electron ferromagnetism due to a flat band in CeRh3B2.
Phase diagrams of the one-dimensional extended Hubbard model with a nearest neighbor interaction VVV and site-off-diagonal (bond-charge XXX and bond-bond WWW) interactions at half-filling are obtained numerically, using the level-crossing approach for finite-size clusters. This analysis is straightforward extension of the preceding work [cond-mat/9909277], where only the XXX term is considered as a site-off-diagonal term. Similarly to the XXX term, the WWW term enlarges bond-charge-density-wave (BCDW) and bond-spin-density-wave (BSDW) phases for W<0W<0W<0 and W>0W>0W>0 cases, respectively. In the strong-coupling region, however, the WWW term causes ferromagnetism for W>0W>0W>0, and shifts the boundary of the phase separation in the U/t≪−1U/t\ll-1U/t≪−1 region, which are different from the roles of the XXX term. In addition, we discuss a parameter region where the BSDW state is the exact ground state, and show that the exactly solvable point appears just on the phase boundary between the BSDW and the ferromagnetic phases.