Magnetic and charge orders in the ground state of the Emery model: Accurate numerical results

Article

关键词: DENSITY-WAVE ORDER;    PAIRING CORRELATIONS;    HUBBARD-MODEL;    STRIPE ORDER;    MONTE-CARLO;    TEMPERATURE;    SUPERCONDUCTIVITY;    SYMMETRY;    SPINS;   

DOI  :  10.1103/PhysRevB.102.214512

来源: SCIE

【 摘 要 】

We perform extensive auxiliary-field quantum Monte Carlo (AFQMC) calculations for the three-band Hub-bard (Emery) model in order to study the ground-state properties of copper-oxygen planes in the cuprates. Employing cutting-edge AFQMC techniques with a self-consistent gauge constraint in auxiliary-field space to control the sign problem, we reach supercells containing approximate to 500 atoms to capture collective modes in the charge and spin orders and characterize the behavior in the thermodynamic limit. The self-consistency scheme interfacing with generalized Hartree-Fock calculations allows high accuracy in AFQMC to resolve small energy scales, which is crucial for determining the complex candidate orders in such a system. We present detailed information on the charge order, spin order, momentum distribution, and localization properties as a function of charge-transfer energy for the the underdoped regime. In contrast with the stripe and spiral orders under hole doping, we find that the corresponding 1/8 electron-doped system exhibits purely antiferromagnetic order in the three-band model, consistent with the asymmetry between electron and hole doping in the phase diagram of cuprates.

【 授权许可】

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