Magnetic response trends in cuprates and the 
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 Hubbard model

Mußhoff, Julian; Kiani, Amin; Pavarini, Eva

doi:10.1103/physrevb.103.075136

Cited by 12 publications

(6 citation statements)

References 115 publications

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“…Overall we see that χ DMFT > χ CDMFT > χ DΓA which can be attributed to the increasing consideration of longer-ranged correlations in the approximation. Next we observe that holedoping away from half-filling reduces T Néel DMFT [50] and T Néel CDMFT [57,58] (for the cluster size dependence of T Néel CDMFT see [59]). In DΓA, instead, the doping leads to a reduction of T DΓA * as highlighted in the bottom right panel of Figure 2.…”

Section: Phase Diagram and Uniform Susceptibilitiesmentioning

confidence: 75%

“…For all hole dopings considered in our nickelate model the flat maximum χ max := χ(T*) is a clear indicator of non-Curie-Weiss (and non-Pauli) behavior [18,58,[60][61][62]. In high-T c cuprates such behavior is also seen in the suppression of the nuclear magnetic resonance (NMR) Knight shift [63], which is the original hallmark of the onset of the pseudogap phase [14].…”

Section: Phase Diagram and Uniform Susceptibilitiesmentioning

confidence: 99%

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Magnetic Properties and Pseudogap Formation in Infinite-Layer Nickelates: Insights From the Single-Band Hubbard Model

2022

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We study the magnetic and spectral properties of a single-band Hubbard model for the infinite-layer nickelate compound LaNiO2. As spatial correlations turn out to be the key ingredient for understanding its physics, we use two complementary extensions of the dynamical mean-field theory to take them into account: the cellular dynamical mean-field theory and the dynamical vertex approximation. Additionally to the systematic analysis of the doping dependence of the non-Curie-Weiss behavior of the uniform magnetic susceptibility, we provide insight into its relation to the formation of a pseudogap regime by the calculation of the one-particle spectral function and the magnetic correlation length. The latter is of the order of a few lattice spacings when the pseudogap opens, indicating a strong-coupling pseudogap formation in analogy to cuprates.

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Section: Phase Diagram and Uniform Susceptibilitiesmentioning

confidence: 75%

Section: Phase Diagram and Uniform Susceptibilitiesmentioning

confidence: 99%

Magnetic Properties and Pseudogap Formation in Infinite-Layer Nickelates: Insights From the Single-Band Hubbard Model

2022

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“…Overall we see that χ DMFT > χ CDMFT > χ DΓA which can be attributed to the increasing consideration of longer-ranged correlations in the approximation. Next we observe that hole-doping away from half-filling reduces T Néel DMFT [45] and T Néel CDMFT [52,53] (for the cluster size dependence of T Néel CDMFT see [54]). In DΓA, instead, the doping leads to a reduction of T * DΓA as highlighted in the bottom right panel of Fig.…”

Section: A Phase Diagram and Uniform Susceptibilitiesmentioning

confidence: 75%

“…2. For all hole dopings considered in our nickelate model the flat maximum χ max := χ(T * ) is a clear indicator of non-Curie-Weiss (and non-Pauli) behavior [18,53,[55][56][57]. In high-T c cuprates such behavior is also seen in the suppression of the nuclear magnetic resonance (NMR) Knight shift [58], which is the original hallmark of the onset of the pseudogap phase [14].…”

Section: A Phase Diagram and Uniform Susceptibilitiesmentioning

confidence: 91%

Magnetic properties and pseudogap formation in infinite-layer nickelates: insights from the single-band Hubbard model

Klett,

Hansmann,

Schäfer

2021

Preprint

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We study the magnetic and spectral properties of a single-band Hubbard model for the infinitelayer nickelate compound LaNiO2. As spatial correlations turn out to be the key ingredient for understanding its physics, we use two complementary extensions of the dynamical mean-field theory to take them into account: the cellular dynamical mean-field theory and the dynamical vertex approximation. Additionally to the systematic analysis of the doping dependence of the non-Curie-Weiss behavior of the uniform magnetic susceptibility, we provide insight into its relation to the formation of a pseudogap regime by the calculation of the one-particle spectral function and the magnetic correlation length. The latter is of the order of a few lattice spacings when the pseudogap opens, indicating a strong-coupling pseudogap formation in analogy to cuprates.

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“…The white lines is the standard linear spin-wave dispersion obtained from the associated Heisenberg model (large t/U limit of the Hubbard model). Reprinted figure with permission from Musshoff et al[180]. Copyright (2021) by the American Physical Society…”

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confidence: 99%

Solving the strong-correlation problem in materials

Pavarini

2021

Riv. Nuovo Cim.

Self Cite

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This article is a short introduction to the modern computational techniques used to tackle the many-body problem in materials. The aim is to present the basic ideas, using simple examples to illustrate strengths and weaknesses of each method. We will start from density-functional theory (DFT) and the Kohn–Sham construction—the standard computational tools for performing electronic structure calculations. Leaving the realm of rigorous density-functional theory, we will discuss the established practice of adopting the Kohn–Sham Hamiltonian as approximate model. After recalling the triumphs of the Kohn–Sham description, we will stress the fundamental reasons of its failure for strongly-correlated compounds, and discuss the strategies adopted to overcome the problem. The article will then focus on the most effective method so far, the DFT+DMFT technique and its extensions. Achievements, open issues and possible future developments will be reviewed. The key differences between dynamical (DFT+DMFT) and static (DFT+U) mean-field methods will be elucidated. In the conclusion, we will assess the apparent dichotomy between first-principles and model-based techniques, emphasizing the common ground that in fact they share.

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Magnetic response trends in cuprates and the t−t′ Hubbard model

Cited by 12 publications

References 115 publications

Magnetic Properties and Pseudogap Formation in Infinite-Layer Nickelates: Insights From the Single-Band Hubbard Model

Magnetic Properties and Pseudogap Formation in Infinite-Layer Nickelates: Insights From the Single-Band Hubbard Model

Magnetic properties and pseudogap formation in infinite-layer nickelates: insights from the single-band Hubbard model

Solving the strong-correlation problem in materials

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