We report on the result of quantum Monte Carlo simulation of quasi-one-dimensional electron systems at 1/4-filling, considering organic superconductors such as TMTSF- and TMTTF-salts. We focus on the effect of dimensionality (interchain coupling) on superconducting fluctuation. First we consider Hubbard model which includes only on-site repulsion U. We find that the increase of interchain coupling enhances superconducting susceptibility, although it deforms the nested Fermi surface and suppresses the spin susceptibility. Next we consider an extended Hubbard model which includes nearest-neighbor repulsion V . In this case we consider the competition between different symmetries of electron pairing, d_{x^2-y^2} - and d_xy-wave symmetry, and find that the particle-particle interaction vertex for d_{x^2-y^2}-wave pairing is no longer attractive even in the region where nesting condition still holds. On the other hand, the interaction vertex for d_xy-wave pairing persists to be attractive. The obtained results for the Hubbard model show qualitative agreement with recent renormalization group study, and have the possibility of accounting for the recent experimental result of (TMTTF)2SbF6, which exhibits a wider superconducting phase than the previous studies.
This is a "perspective" inspired by the forthcoming article, "What makes the $T_c$ of monolayer FeSe on SrTiO so high: a sign-problem free quantum Monte Carlo study," by Z-X. Li, F. Wang, H. Yao, and D-H. Lee, arXiv:1512.06179.
To understand the interplay between nematic fluctuation and superconductivity in iron-based superconductors, we performed a systematic study of the realistic two-orbital Hubbard model by using the constrained-path quantum Monte Carlo method. Our numerical results showed that the on-site nematic interaction induces a strong enhancement of nematic fluctuations at various momentums, especially at ($π$,$π$). Simultaneously, it was found that the on-site nematic interaction suppresses the ($π$,0)/(0,$π$) antiferromagnetic order and long-range electron pairing correlations for dominant pairing chann…
We study superconductivity in two-band models where one of the bands does or does not intersect the Fermi level depending on the parameter values. Applying a many-variable variational Monte-Carlo method for a Hubbard model on two-leg ladder and bilayer square lattices, we show that superconductivity can be enhanced in a parameter regime where the edge of one of the bands is near the Fermi energy, that is, when the band is incipient. The resemblence of the present results to those obtained by a weak coupling method in a recent study suggests that, even in the large $U$ regime, the suppression o…
We review the Resonating Valence Bond (RVB) theory of high temperatur e superconductivity using Gutzwiller projected wave functions that incorporate strong correlations. After a general overview of the phenomenon of high temperature superconductivity, we discuss Anderson's RVB picture and its implementation by renormalised mean field theory (RMFT) and variational Monte Carlo (VMC) techniques. We review RMFT and VMC results with an emphasis on recent development s in extending VMC and RMFT techniques to excited states. We compare results obtained from these methods with angle resolved photoemis…
We study a two-dimensional model of an isolated narrow topological band at partial filling with local attractive interactions. Numerically exact quantum Monte Carlo calculations show that the ground state is a superconductor with a critical temperature that scales nearly linearly with the interaction strength. We also find a broad pseudogap regime at temperatures above the superconducting phase that exhibits strong pairing fluctuations and a tendency towards electronic phase separation; introducing a small nearest neighbor attraction suppresses superconductivity entirely and results in phase s…
We investigate the ground-state phase diagram of the two-dimensional Hubbard model based on the optimization variational Monte Carlo method. We use a wave function that is an off-diagonal type given as $ψ=\exp(-λK)P_Gψ_0$, where $ψ_0$ is a one-particle state, $P_G$ is the Gutzwiller operator, $K$ is the kinetic operator, and $λ$ is a variational parameter. The many-body effect plays an important role as an origin of spin correlation and superconductivity in correlated electron systems. We examine the competition between the antiferromagnetic state and superconducting state by varying the Coulo…
Using dynamic cluster quantum Monte Carlo simulations, we study the superconducting behavior of a 1/8 doped two-dimensional Hubbard model with imposed uni-directional stripe-like charge density wave modulation. We find a significant increase of the pairing correlations and critical temperature relative to the homogeneous system when the modulation length-scale is sufficiently large. With a separable form of the irreducible particle-particle vertex, we show that optimized superconductivity is obtained for moderate modulation strength due to a delicate balance between the modulation enhanced pai…
Superconductivity in doped symmetric mass generation insulator: a quantum Monte-Carlo study
Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences（中国科学院物理研究所）；University of Chinese Academy of Sciences（中国科学院大学）；Department of Physics, University of California, San Diego（加州大学圣地亚哥分校物理系）
In contrast to bulk FeSe, which exhibits nematic order and low temperature superconductivity, atomic layers of FeSe reverse the situation, having high temperature superconductivity appearing alongside a suppression of nematic order. To investigate this phenomenon, we study a minimal electronic model of FeSe, with interactions that enhance nematic fluctuations. This model is sign problem free, and is simulated using determinant quantum Monte Carlo (DQMC). We developed a DQMC algorithm with parallel tempering, which proves to be an efficient source of global updates and allows us to access the r…
The origin of the pseudogap behavior, found in many high-$T_c$ superconductors, remains one of the greatest puzzles in condensed matter physics. One possible mechanism is fermionic incoherence, which near a quantum critical point allows pair formation but suppresses superconductivity. Employing quantum Monte Carlo simulations of a model of itinerant fermions coupled to ferromagnetic spin fluctuations, represented by a quantum rotor, we report numerical evidence of pseudogap behavior, emerging from pairing fluctuations in a quantum-critical non-Fermi liquid. Specifically, we observe enhanced pa…
We consider the repulsive Hubbard model on a square lattice with an additional term, W, which depends upon the square of a single-particle nearest-neighbor hopping. At half-band filling, constant W, we show that enhancing U/t drives the system from a d-wave superconductor to an antiferromagnetic Mott insulator. At zero temperature in the superconducting phase, spin-spin correlations follow a powerlaw: exp(-i r Q) |r|^(-alpha). Here Q = (pi, pi) and alpha is in the range 1 < alpha < 2 and depends upon the coupling constants W and U. This results is reached on the basis of large scale quantum Mo…
The d-wave pairing correlations along with spin correlation are calculated with quantum Monte Carlo method for the two-dimensional Hubbard model on lattice structures representing organic superconductors $κ$-(BEDT-TTF)$_2$X and (TMTSF)$_2$X. In both cases the pairing correlations for superconducting order parameters with nodes are found to be enhanced. The symmetry and the enhancement of the pairing is systematically correlated with the spin structure factor, suggesting a spin-fluctuation mediated pairing. We have further found that, as we deform the Fermi surface to make the system approach t…
Motivated by recent experiments realizing correlated phenomena and superconductivity in 2D van der Waals devices, we consider the general problem of whether correlation effects may be enhanced by modifying band structure while keeping a fixed weak interaction strength. Using determinantal quantum Monte Carlo, we study the 2D Hubbard model for two different band structures: a regular nearest-neighbor tight-binding model, and a partially flat band structure containing a non-dispersing region, with identical total non-interacting bandwidth $W$. For both repulsive and attractive weak interactions …
We propose a Monte Carlo method, which is a hybrid method of the quantum Monte Carlo method and variational Monte Carlo theory, to study the Hubbard model. The theory is based on the off-diagonal and the Gutzwiller type correlation factors which are taken into account by a Monte Carlo algorithm. In the 4x4 system our method is able to reproduce the exact results obtained by the diagonalization. An application is given to investigate the half-filled band case of two-dimensional square lattice. The energy is favorably compared with quantum Monte Carlo data.
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 …
Superconductivity and inhomogeneous charge-ordered state in the two-Dimensional Hubbard model -- Off-Diagonal Wave Function Monte Carlo Studies of Hubbard Model IV
We explore two complementary modifications of the hybridization-expansion continuous-time Monte Carlo method, aiming at large multi-orbital quantum impurity problems. One idea is to compute the imaginary-time propagation using a matrix product states representation. We show that bond dimensions considerably smaller than the dimension of the Hilbert space are sufficient to obtain accurate results, and that this approach scales polynomially, rather than exponentially with the number of orbitals. Based on scaling analyses, we conclude that a matrix product state implementation will outperform the…
We discuss an alternative accurate Monte Carlo method to calculate the ground-state energy and related quantities for Laughlin states of the fractional quantum Hall effect in a disk geometry. This alternative approach allows us to obtain accurate bulk regime (thermodynamic limit) values for various quantities from Monte Carlo simulations with a small number of particles (much smaller than that needed with standard Monte Carlo approaches).
We present a method for direct hybrid Monte Carlo simulation of graphene on the hexagonal lattice. We compare the results of the simulation with exact results for a unit hexagonal cell system, where the Hamiltonian can be solved analytically.
We perform excited-state variational Monte Carlo and diffusion Monte Carlo calculations using a simple and efficient wave function ansatz. This ansatz follows the recent variation-after-response formalism, accurately approximating a configuration interaction singles wave function as a sum of only two non-orthogonal Slater determinants, and further including important orbital relaxation. The ansatz is used to perform diffusion Monte Carlo calculations with large augmented basis sets, comparing to benchmarks from near-exact quantum chemical methods. The significance of orbital optimization in ex…
Quantum Monte Carlo (QMC) methods are some of the most accurate methods for simulating correlated electronic systems. We investigate the compatibility, strengths and weaknesses of two such methods, namely, diffusion Monte Carlo (DMC) and auxiliary-field quantum Monte Carlo (AFQMC). The multi-determinant trial wave functions employed in both approaches are generated using the configuration interaction using a perturbative selection made iteratively (CIPSI) technique. Complete basis set full configuration interaction (CBS-FCI) energies estimated with CIPSI are used as a reference in this compara…
