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Physics Procedia

Coexistence of Superconductivity and Antiferromagnetism and its Effects on Crossover as to Correlation Strength in Hubbard Model

Kenji Kobayashi, H. Yokoyama

Published Jan 1, 2013• 7 citations
Publisher

Abstract

Using a variational Monte Carlo method, the interplay between antiferromagnetism and superconductivity is studied for the two- dimensional Hubbard model with a diagonal transfer t’. It is found with a refined function that the optimized state is sensitive to the values of model parameters, U/t, t’/t, and δ (doping rate), and becomes a coexisting state or a pure superconducting (SC) state. SC properties in the coexisting state also undergo considerable changes around the crossover point Uco(~10t) from a fragile BCS type for U < Uco co to an unconventional one for U>Uco, in which pairs are formed through local exchange or doublon-holon processes, but supercurrent flows separately with the doped holes.

DOI
10.1016/j.phpro.2013.04.041

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Using a variational Monte Carlo method, the interplay between antiferromagnetism and superconductivity is studied for the two- dimensional Hubbard model with a diagonal transfer t’. It is found with a refined function that the optimized state is sensitive to the values of model parameters, U/t, t’/t, and δ (doping rate), and becomes a coexisting state or a pure superconducting (SC) state. SC properties in the coexisting state also undergo considerable changes around the crossover point Uco(~10t) from a fragile BCS type for U < Uco co to an unconventional one for U>Uco, in which pairs are formed through local exchange or doublon-holon processes, but supercurrent flows separately with the doped holes.
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.
In view of cuprate superconductors, interplay between antiferromagnetism (AF) and superconductivity (SC) is studied for the square-lattice Hubbard model with a diagonal transfer t , using a variational Monte Carlo method.In the trial wave function, essential factors of Mott physics and band renormalization are introduced.It is found that whether AF and SC become coexistent or competitive is sensitive to the values of model parameters, U/t, t /t, and δ (doping rate).Furthermore, in case AF gap is finite, namely, in pure AF or coexisting cases, the state is unstable against phase separation.
Having cuprate superconductors in mind, we study a band-renormalization effect on a coexisting state of antiferromagnetism (AF) and superconductivity (SC) in a t-J model on a square lattice with a diagonal transfer t ′ and three-site hopping terms, using a variational Monte Carlo method. It is found that this t-J model with t ′/ t = –0.3 exhibits coexistence of AF and SC orders in lightly doped regime and robust SC for a wide range of doping rate δ . This result contrasts with the previous results of a large- U/t Hubbard model, in which the two orders are mutually exclusive and a coexisting state does not appear; the SC state appears only in heavily doped regime (δ≳ 0.2), after the pure AF state vanishes at δ ∼ 0.2.
With the high-Tc cuprates in mind, properties of correlated d-wave superconducting (SC) states are studied for a Hubbard model on square lattices with a diagonal transfer (t-t’-U model), using a variational Monte Carlo method. We employ a simple wave function, which includes crucial parameters, in particular, a doublon-holon (D-H) binding factor important for correlated SC and normal states as doped Mott insulators. We first check that the range of dominant superconductivity is limited to a strongly correlated regime (U>W, U: onsite correlation strength, W: band width), and coincides with the effective range of the D-H binding factors. In this range of U/t and δ (doping rate), holons (in hole-doped cases) are classified into two types: doped holons and ones created as D-H pairs. Only the former holons participate in current, whereas the latter contribute to singlet-pair formation. Next, we show that the SC properties undergo a crossover at U=Uco∼W. For U<Uco, the behavior is appropriately interpreted with the conventional BCS mechanism, whereas for U>Uco (the regime of cuprates), a new idea is needed to understand the peculiar SC behavior.
With high-Tc cuprates in mind, properties of correlated dx2-y2-wave superconducting (SC) and antiferromagnetic (AF) states are studied for the Hubbard (t-t'-U) model on square lattices, using a variational Monte Carlo method. We employ simple trial wave functions including only crucial parameters, such as a doublon-holon binding factor indispensable to describe correlated SC and normal states as doped Mott insulators. U/t, t'/t and δ(doping rate) dependence of relevant quantities are systematically calculated. As U/t increases, a sharp crossover of SC properties occurs at U_co/t \sim 10 from a conventional BCS type to a kinetic-energy-driven type for any t'/t. As δdecreases, U_co/t is smoothly connected to the Mott transition point at half filling. For U/t\lsim 5, steady superconductivity corresponding to the cuprates is not found, whereas the d-wave SC correlation function Pd^\infty rapidly increases for U/t\gsim 6 and becomes maximum at U=U_co. Comparing the δdependence of Pd^\infty with experimentally observed dome-shaped Tc and condensation energy, we find that the effective value of UUU for the cuprates should be larger than the band width, for which the t-J model is valid. Analyzing the kinetic energy, we reveal that for U>U_co only doped holes (electrons) become charge carriers, which will make a small Fermi surface (hole pocket), but for UU_co is determined by two factors, i.e., the AF spin correlation, which creates singlet pairs (pseudogap), and the charge mobility dominated by Mott physics.
We investigate the ground state of two-dimensional Hubbard model on the basis of the variational Monte Carlo method. We use wave functions that include kinetic correlation and doublon-holon correlation beyond the Gutzwiller ansatz. It is still not clear whether the Hubbard model accounts for high-temperature superconductivity. The antiferromagnetic correlation plays a key role in the study of pairing mechanism because the superconductive phase exists usually close to the antiferromagnetic phase. We investigate the stability of the antiferromagnetic state when holes are doped as a function of the Coulomb repulsion U . We show that the antiferromagnetic correlation is suppressed as U is increased exceeding the bandwidth. High-temperature superconductivity is possible in this region with enhanced antiferromagnetic spin fluctuation and pairing interaction.