Single-Particle Spectral Function Formulated and Calculated by Variational Monte Carlo Method with Application to d-Wave Superconducting State

A method to calculate the one-body Green’s function for ground states of correlated electron materials is formulated by extending the variational Monte Carlo method. We benchmark against the exact diagonalization (ED) for the one- and two-dimensional Hubbard models of 16-site lattices, which proves...

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Autores principales:	Maxime Charlebois, Masatoshi Imada
Formato:	article
Lenguaje:	EN
Publicado:	American Physical Society 2020
Materias:	Physics QC1-999
Acceso en línea:	https://doaj.org/article/e1544afdf4834018b4689f30f73ba03c
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spelling	oai:doaj.org-article:e1544afdf4834018b4689f30f73ba03c2021-12-02T10:45:11ZSingle-Particle Spectral Function Formulated and Calculated by Variational Monte Carlo Method with Application to d-Wave Superconducting State10.1103/PhysRevX.10.0410232160-3308https://doaj.org/article/e1544afdf4834018b4689f30f73ba03c2020-11-01T00:00:00Zhttp://doi.org/10.1103/PhysRevX.10.041023http://doi.org/10.1103/PhysRevX.10.041023https://doaj.org/toc/2160-3308A method to calculate the one-body Green’s function for ground states of correlated electron materials is formulated by extending the variational Monte Carlo method. We benchmark against the exact diagonalization (ED) for the one- and two-dimensional Hubbard models of 16-site lattices, which proves high accuracy of the method. The application of the method to a larger-sized Hubbard model on the square lattice correctly reproduces the Mott insulating behavior at half-filling and gap structures of the d-wave superconducting state of the hole-doped Hubbard model in the ground state optimized by enforcing the charge uniformity, evidencing a wide applicability to strongly correlated electron systems. From the obtained d-wave superconducting gap of the charge-uniform state, we find that the gap amplitude at the antinodal point is several times larger than the experimental value when we employ a realistic parameter as a model of the cuprate superconductors. The effective attractive interaction of carriers in the d-wave superconducting state inferred for an optimized state of the Hubbard model is as large as the order of the nearest-neighbor transfer, which is far beyond the former expectation in the cuprates. We discuss the nature of the superconducting state of the Hubbard model in terms of the overestimate of the gap and the attractive interaction in comparison to the cuprates.Maxime CharleboisMasatoshi ImadaAmerican Physical SocietyarticlePhysicsQC1-999ENPhysical Review X, Vol 10, Iss 4, p 041023 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Physics QC1-999
spellingShingle	Physics QC1-999 Maxime Charlebois Masatoshi Imada Single-Particle Spectral Function Formulated and Calculated by Variational Monte Carlo Method with Application to d-Wave Superconducting State
description	A method to calculate the one-body Green’s function for ground states of correlated electron materials is formulated by extending the variational Monte Carlo method. We benchmark against the exact diagonalization (ED) for the one- and two-dimensional Hubbard models of 16-site lattices, which proves high accuracy of the method. The application of the method to a larger-sized Hubbard model on the square lattice correctly reproduces the Mott insulating behavior at half-filling and gap structures of the d-wave superconducting state of the hole-doped Hubbard model in the ground state optimized by enforcing the charge uniformity, evidencing a wide applicability to strongly correlated electron systems. From the obtained d-wave superconducting gap of the charge-uniform state, we find that the gap amplitude at the antinodal point is several times larger than the experimental value when we employ a realistic parameter as a model of the cuprate superconductors. The effective attractive interaction of carriers in the d-wave superconducting state inferred for an optimized state of the Hubbard model is as large as the order of the nearest-neighbor transfer, which is far beyond the former expectation in the cuprates. We discuss the nature of the superconducting state of the Hubbard model in terms of the overestimate of the gap and the attractive interaction in comparison to the cuprates.
format	article
author	Maxime Charlebois Masatoshi Imada
author_facet	Maxime Charlebois Masatoshi Imada
author_sort	Maxime Charlebois
title	Single-Particle Spectral Function Formulated and Calculated by Variational Monte Carlo Method with Application to d-Wave Superconducting State
title_short	Single-Particle Spectral Function Formulated and Calculated by Variational Monte Carlo Method with Application to d-Wave Superconducting State
title_full	Single-Particle Spectral Function Formulated and Calculated by Variational Monte Carlo Method with Application to d-Wave Superconducting State
title_fullStr	Single-Particle Spectral Function Formulated and Calculated by Variational Monte Carlo Method with Application to d-Wave Superconducting State
title_full_unstemmed	Single-Particle Spectral Function Formulated and Calculated by Variational Monte Carlo Method with Application to d-Wave Superconducting State
title_sort	single-particle spectral function formulated and calculated by variational monte carlo method with application to d-wave superconducting state
publisher	American Physical Society
publishDate	2020
url	https://doaj.org/article/e1544afdf4834018b4689f30f73ba03c
work_keys_str_mv	AT maximecharlebois singleparticlespectralfunctionformulatedandcalculatedbyvariationalmontecarlomethodwithapplicationtodwavesuperconductingstate AT masatoshiimada singleparticlespectralfunctionformulatedandcalculatedbyvariationalmontecarlomethodwithapplicationtodwavesuperconductingstate
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Single-Particle Spectral Function Formulated and Calculated by Variational Monte Carlo Method with Application to d-Wave Superconducting State

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