Tuning the bond order wave (BOW) phase of half-filled extended Hubbard models

Abstract

Theoretical and computational studies of the quantum phase diagram of the one-dimensional half-filled extended Hubbard model (EHM) indicate a narrow bond order wave (BOW) phase with finite magnetic gap $E_m$ for on-site repulsion $U<U^{\ast }$, the critical point, and nearest neighbor interaction $V_c\approx U/2$ near the boundary of the charge density wave (CDW) phase. Potentials with more extended interactions that retain the EHM symmetry are shown to have a less cooperative CDW transition with higher $U^{\ast }$ and wider BOW phase. Density matrix renormalization group (DMRG) is used to obtain $E_m$ directly as the singlet-triplet gap, with finite $E_m$ marking the BOW boundary $V_s(U)$. The BOW/CDW boundary $V_c(U)$ is obtained from exact finite-size calculations that are consistent with previous EHM determinations. The kinetic energy or bond order provides a convenient new estimate of $U^{\ast }$ based on a metallic point at $V_c(U)$ for $U<U^{\ast }$. Tuning the BOW phase of half-filled Hubbard models with different intersite potentials indicates a ground state with large charge fluctuations and magnetic frustration. The possibility of physical realizations of a BOW phase is raised for Coulomb interactions.

arXiv comment9 pages, 7 figures

References in corpus (13)

• Complexity in Strongly Correlated Electronic Systems
• The Quantum-Mechanical Position Operator in Extended Systems
• Polarization and localization in insulators: generating function approach
• DMRG Studies of the Spin-Half Heisenberg System with Dimerization and Frustration
• Tricritical Behavior in the Extended Hubbard Chains
• Bond-order-wave phase and quantum phase transitions in the one-dimensional extended Hubbard model
• Ground state phases of the Half-Filled One-Dimensional Extended Hubbard Model
• Dimerization in a half-filled one-dimensional extended Hubbard model
• Functional Renormalization Group Analysis of the Half-filled One-dimensional Extended Hubbard Model
• The Half-Filled One-Dimensional Extended Hubbard Model: Phase diagram and Thermodynamics
• Symmetry crossover and excitation thresholds at the neutral-ionic transition of the modified Hubbard model
• Giant infrared intensity of the Peierls mode at the neutral-ionic phase transition
• DMRG study of scaling exponents in spin-1/2 Heisenberg chains with dimerization and frustration

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