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arXiv:1506.05029

Variational Monte Carlo simulation in hole-doped cuprate superconductors: Competition between antiferromagnetism and superconductivity

Chung-Pin Chou

Published Jun 16, 2015• 0 citations
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Abstract

We present variational Monte Carlo (VMC) results for the Gutzwiller-projected coexisting state including both antiferromagnetic (AFM) order and superconducting (SC) order in the two-dimensional t-t'-t"-J model. By further considering off-site spin correlation between electrons, in contrast to earlier VMC results [Phys. Rev. Lett. 102, 027002 (2009)], we find the apparent competition between AFM order and SC order near the underdoped regime instead of coexistence. The local ferromagnetic correlation introduced by spin-spin Jastrow correlators seem to be responsible for the disappearance of the coexisting state. We also demonstrate that the quasiparticle spectral weight from upper (lower) AFM band are strongly diminished (enhanced) by the spin-spin correlation. This result obviously leads to the loss of antinodal electron pockets and the appearance of nodal hole pockets as passing from the AFM phase to the SC phase in hole-doped cuprates, which is in consistent with the observation by angle-resolved photoemission spectroscopy.

DOI
10.48550/arxiv.1506.05029

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We present variational Monte Carlo (VMC) results for the Gutzwiller-projected coexisting state including both antiferromagnetic (AFM) order and superconducting (SC) order in the two-dimensional t-t'-t"-J model. By further considering off-site spin correlation between electrons, in contrast to earlier VMC results [Phys. Rev. Lett. 102, 027002 (2009)], we find the apparent competition between AFM order and SC order near the underdoped regime instead of coexistence. The local ferromagnetic correlation introduced by spin-spin Jastrow correlators seem to be responsible for the disappearance of the coexisting state. We also demonstrate that the quasiparticle spectral weight from upper (lower) AFM band are strongly diminished (enhanced) by the spin-spin correlation. This result obviously leads to the loss of antinodal electron pockets and the appearance of nodal hole pockets as passing from the AFM phase to the SC phase in hole-doped cuprates, which is in consistent with the observation by angle-resolved photoemission spectroscopy.
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To study the relationship between antiferromagnetism (AF) and superconductivity (SC) in cuprate superconductors, we have performed a variational Monte Carlo calculation on the two-dimensional Hubbard model with a diagonal transfer t' [1,2]. The following improvements are introduced into the variational function: (1) Coexistence of AF and d-wave singlet gaps that allows a continuous description of their interplay, (2) band renormalization effect owing to the electron correlation up to the fourth-neighbor hoppings, and (3) refined doublon-holon correlation factors. It is found that the AF and SC orders become coexistent or competitive according to the values of model parameters, U/t, t'/t, and δ (doping rate), and the effective band is strongly renormalized for large U/t and low doping rates, so as to recover the nesting condition favorable to AF.
The competition between ddd-wave superconductivity (SC) and antiferromagnetism (AF) in the high-Tc{T}_{c}Tc​ cuprates is investigated by studying the hole- and electron-doped two-dimensional Hubbard model with a recently proposed variational quantum-cluster theory. The approach is shown to provide a thermodynamically consistent determination of the particle number, provided that an overall shift of the on-site energies is treated as a variational parameter. The consequences for the single-particle excitation spectra and for the phase diagram are explored. By comparing the single-particle spectra with quantum Monte Carlo and experimental data, we verify that the low-energy excitations in a strongly correlated electronic system are described appropriately. The cluster calculations also reproduce the overall ground-state phase diagram of the high-temperature superconductors. In particular, they include salient features such as the enhanced robustness of the antiferromagnetic state as a function of electron doping and the tendency towards phase separation into a mixed antiferromagnetic-superconducting phase at low doping and a pure superconducting phase at high (both hole and electron) doping.
We investigate the asymmetry between electron and hole doping in a 2D Mott insulator and the resulting competition between antiferromagnetism (AFM) and d-wave superconductivity (SC), using variational Monte Carlo calculations for projected wave functions. We find that key features of the T=0 phase diagram, such as critical doping for SC-AFM coexistence and the maximum value of the SC order parameter, are determined by a single parameter eta which characterizes the topology of the "Fermi surface" at half filling defined by the bare tight-binding parameters. Our results give insight into why AFM wins for electron doping, while SC is dominant on the hole-doped side. We also suggest using band structure engineering to control the eta parameter for enhancing SC.
Extended t-t'-t"-J-U models in which the second-nearest-neighbor hopping (t') and third-nearest-neighbor hopping (t") are included are studied using renormalized mean field theory. The models are meant to be low-energy effective models for the Hubbard models, and hence the Heisenberg exchange integral J and Hubbard repulsion U are related by J = 4t(2)/U. The trial wavefunctions for the ground states are partially Gutzwiller projected Hartree-Fock states. The Gutzwiller projection is implemented by means of a Gutzwiller approximation, and the site double occupancy d is taken as a variational parameter. It is found that a large |t'/t| narrows the band filling range that sustains antiferromagnetism (AFM) in the ground state, enhances the d-wave singlet superconductivity (dSC) in hole overdoped systems, but suppresses the dSC in electron overdoped systems. For a system that has large |t'/t| and |t"/t'|, the superconductivity (SC) at the onset of AFM in hole doped band filling is strongly suppressed. On the excitation occurring, when an electron doped system simultaneously contains SC and AFM, the system is found to have a nodeless gap at the Fermi level. Finally, the result of this study is related to experiments on the superconducting cuprates.