Relationship between the parent charge transfer gap and maximum transition temperature in cuprates

Ruan, Wei; Cheng, Honghui; Zhao, Jianfa; Cai, Pengfei; Peng, Yingying; Ye, Cun; Yu, Runze; Li, Xintong; Hao, Zhenqi; Jin, Changqing; Zhou, Xianju; Weng, Zheng-Yu; Wang, Yayu

doi:10.1007/s11434-016-1204-x

Cited by 61 publications

(69 citation statements)

References 37 publications

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“…At longer range, the opposite tendency is seen, with the pairing correlations increasing as ∆ is decreased. This result is consistent with the experimental evidence [18][19][20][21] that the charge-transfer energy is anticorrelated with the superconducting critical temperature. It suggests a picture of local tendency towards AFM order which allows the system to build d-wave pairs that become more correlated once the holes become more delocalized.…”

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confidence: 92%

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Metal-insulator transition in the ground state of the three-band Hubbard model at half filling

et al. 2019

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The three-band Hubbard model is a fundamental model for understanding properties of the Copper-Oxygen planes in cuprate superconductors. We use cutting-edge auxiliary-field quantum Monte Carlo (AFQMC) methods to investigate ground state properties of the model in the parent compound. Large supercells combined with twist averaged boundary conditions are studied to reliably reach the thermodynamic limit. Benchmark quality results are obtained on the magnetic correlations and charge gap. A key parameter of this model is the charge-transfer energy ∆ between the Oxygen p and the Copper d orbitals, which appears to vary significantly across different families of cuprates and whose ab initio determination is subtle. We show that the system undergoes a quantum phase transition from an antiferromagnetic insulator to a paramagnetic metal as ∆ is lowered to 3 eV. arXiv:1807.06139v1 [cond-mat.supr-con]

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confidence: 92%

“…Furthermore, it is known that ab initio computations to determine its value often have difficulties [16,17]. This parameter is important because it directly controls the hole density on the Cu sites, which is seen to be anticorrelated with the superconductiong critical temperature [18][19][20][21].…”

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confidence: 99%

Metal-insulator transition in the ground state of the three-band Hubbard model at half filling

et al. 2019

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“…We also show that the Gutzwiller-type variational wave function captures the dome-like behavior of the dominant SC amplitude as a function of hole doping. Furthermore, the influence of the charge transfer energy and the Coulomb repulsion on both the pairing strength and the relative occupancy on the d and p orbitals is discussed in the context of experimental observations for the cuprates 19,21 . Throughout our analysis we focus on the comparison between the single-and three-band pictures and discuss to what extent the former is efficient in the description of the SC phase by relating directly the corresponding macro properties.…”

Section: Introductionmentioning

confidence: 99%

Superconductivity in the three-band model of cuprates: Variational wave function study and relation to the single-band case

et al. 2019

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The d-wave superconductivity is analyzed within the three-band d-p model with the use of the diagrammatic expansion of the Guztwiller wave function method (DE-GWF). The determined stability regime of the superconducting state appears in the range of hole doping δ 0.35, with the optimal doping close to δ ≈ 0.19. The pairing amplitudes between the d-orbitals due to copper and px/py orbitals due to oxygen are analyzed together with the hybrid d-p pairing. The d-d pairing between the nearest neighboring atomic sites leads to the dominant contribution to the SC phase. Moreover, it is shown that the decrease of both the Coulomb repulsion on the copper atomic sites (U d ) and the charge transfer energy between the oxygen and copper atomic sites ( dp ) increases the pairing strength as it moves the system from the strong to the intermediate-correlation regime, where the pairing is maximized. Such a result is consistent with our analysis of the ratio of changes in the hole content at the d and p orbitals due to doping, which, according to experimental study, increases with the increasing maximal critical temperature [cf. Nat. Commun. 7, 11413 (2016)]. Furthermore, the results for the three-band model are compared to those for the effective single-band picture and similarities between the two approaches are discussed. For the sake of completeness, the normal-state characteristics determined from the DE-GWF approach are compared with those resulting from the Variational Quantum Monte Carlo method with inter-site correlations included through the appropriate Jastrow factors. arXiv:1812.03677v1 [cond-mat.supr-con]

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“…It has also been predicted that d A influences T c in at least two different ways. First, the distance d A controls the charge transfer gap between the oxygen and copper site which, in turn, suppresses superconductivity 5,9 . Second, Fermi-level hybridisation, depending on d A , reduces the pairing strength 6,10 .…”

Section: Introductionmentioning

confidence: 99%

Direct observation of orbital hybridisation in a cuprate superconductor

et al. 2018

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The minimal ingredients to explain the essential physics of layered copper-oxide (cuprates) materials remains heavily debated. Effective low-energy single-band models of the copper–oxygen orbitals are widely used because there exists no strong experimental evidence supporting multi-band structures. Here, we report angle-resolved photoelectron spectroscopy experiments on La-based cuprates that provide direct observation of a two-band structure. This electronic structure, qualitatively consistent with density functional theory, is parametrised by a two-orbital ( and ) tight-binding model. We quantify the orbital hybridisation which provides an explanation for the Fermi surface topology and the proximity of the van-Hove singularity to the Fermi level. Our analysis leads to a unification of electronic hopping parameters for single-layer cuprates and we conclude that hybridisation, restraining d-wave pairing, is an important optimisation element for superconductivity.

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Relationship between the parent charge transfer gap and maximum transition temperature in cuprates

Cited by 61 publications

References 37 publications

Metal-insulator transition in the ground state of the three-band Hubbard model at half filling

Metal-insulator transition in the ground state of the three-band Hubbard model at half filling

Superconductivity in the three-band model of cuprates: Variational wave function study and relation to the single-band case

Direct observation of orbital hybridisation in a cuprate superconductor

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