Spin density wave and ferromagnetism in a quasi-one-dimensional organic polymer

Liang, Shi-Dong; Wang, Qiang-Hua; Wang, Z. D.

doi:10.1007/s002570050416

Zeitschrift für Physik B Condensed Matter

1997

DOI: 10.1007/s002570050416

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Spin density wave and ferromagnetism in a quasi-one-dimensional organic polymer

Shi-Dong Liang

Qiang-Hua Wang

Z. D. Wang

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Cited by 4 publications

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Validation of the Ability of Full Configuration Interaction Quantum Monte Carlo for Studying the 2D Hubbard Model

Yun¹,

Dong²,

Zhu³

2017

Chinese Phys. Lett.

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To validate the ability of full configuration interaction quantum Monte Carlo (FCIQMC) for studying the 2D Hubbard model near half-filling regime, the ground state energies of a 4 × 4 square lattice system with various interaction strengths are calculated. It is found that the calculated results are in good agreement with those obtained by exact diagonalization (i.e., the exact values for a given basis set) when the population of psi particles (psips) is higher than the critical population required to correctly sample the ground state wave function. In addition, the variations of the average computational time per 20 Monte Carlo cycles with the coupling strength and the number of processors are also analyzed. The calculated results show that the computational efficiency of an FCIQMC calculation is mainly affected by the total population of psips and the communication between processors. These results can provide useful references for understanding the FCIQMC algorithm, studying the ground state properties of the 2D Hubbard model for the larger system size by the FCIQMC method and using a computational budget as effectively as possible.

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Validation of the Ability of Full Configuration Interaction Quantum Monte Carlo for Studying the 2D Hubbard Model

Yun¹,

Dong²,

Zhu³

2017

Chinese Phys. Lett.

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Ferrimagnetism in the organic polymeric Hubbard model: Quantum Monte Carlo simulation

Liang

Wang

et al. 1999

Phys. Rev. B

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The ground-state properties of organic polymers are studied by means of the quantum Monte Carlo simulation. The polymer doped by transition-metal impurities at every other radical site of the chain is described by the quasi-one-dimensional polymeric Hubbard chain. The topological structure of the chain possesses a flatband structure of the energy band. The spin-spin correlation function and the static magnetic susceptibility are investigated in the case of half filling. Our analysis shows that the on-site Coulomb repulsions in the chain and/or in the radical lead to the coexistence of ferromagnetic and antiferromagnetic order, i.e., the ferrimagnetic order. The on-site Coulomb repulsion (U d ) of electrons at the radicals plays a more significant role in stabilizing the ferromagnetic order than that (U) on the chain does, while U has a stronger impact on the antiferromagnetic order. ͓S0163-1829͑99͒04205-8͔

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Ferromagnetism, Dimerization, Charge and Spin Density Waves in Quasi-One-Dimensional Organic Polymers: Self-Consistent Mean Field Theory

Liang

Wang

et al. 1998

Int. J. Mod. Phys. B

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We address the low temperature properties of quasi-one-dimensional organic polymers, which may be described by a modified Anderson lattice-Su-Schrieffer-Heeger Hamiltonian. The condition and nature of various orders, such as, the ferromagnetic order, the dimerization order, the charge density wave order and the spin density wave order, are analyzed by a self-consistent mean field theory. Analytical results are obtained for a specific case. The topological structure of the chain leads to a flatband structure of the energy band, which gives rise to a ferromagnetic order in the case of half filling at low temperatures. The on-site Coulomb repulsion enhances the ferromagnetic order, while the nearest-neighbor interaction (V ) suppresses both the ferromagnetic order and the dimerization, and leads to the charge density wave. The π-d hybridization (t d ) suppresses the dimerization, and does not affect the magnetization. The ferromagnetic order and dimerization order coexist for weak t d . PACS number(s): 71.20.Rv; 75.30Hx; 71.70.-d; 63.22+m Int. J. Mod. Phys. B 1998.12:2031-2044. Downloaded from www.worldscientific.com by UNIVERSITY OF CALIFORNIA @ SAN DIEGO on 04/13/15. For personal use only.

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Spin density wave and ferromagnetism in a quasi-one-dimensional organic polymer

Cited by 4 publications

References 0 publications

Validation of the Ability of Full Configuration Interaction Quantum Monte Carlo for Studying the 2D Hubbard Model

Validation of the Ability of Full Configuration Interaction Quantum Monte Carlo for Studying the 2D Hubbard Model

Ferrimagnetism in the organic polymeric Hubbard model: Quantum Monte Carlo simulation

Ferromagnetism, Dimerization, Charge and Spin Density Waves in Quasi-One-Dimensional Organic Polymers: Self-Consistent Mean Field Theory

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