High-Spin Polaron in Lightly Doped<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mi>CuO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>Planes

Lau, Bayo; Berciu, Mona; Sawatzky, G. A.

doi:10.1103/physrevlett.106.036401

Cited by 85 publications

(108 citation statements)

References 54 publications

(90 reference statements)

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“…As the lowest energy excitation of the charge transfer insulator is the removal of an electron from the occupied O 2p orbital to the unoccupied Cu 3d x 2 À y 2 orbital 20 , naïvely it is expected that the unpaired hole will mainly reside on the anion ligands and electron on the cation d orbitals 21 . This picture implies that the relative weight of CTB and UHB may vary between the Cu and O sites.…”

Section: Resultsmentioning

confidence: 99%

Visualizing the atomic-scale electronic structure of the Ca2CuO2Cl2 Mott insulator

Cai

et al. 2013

Nat Commun

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Although the mechanism of superconductivity in the cuprates remains elusive, it is generally agreed that at the heart of the problem is the physics of doped Mott insulators. A crucial step for solving the high temperature superconductivity puzzle is to elucidate the electronic structure of the parent compound and the behaviour of doped charge carriers. Here we use scanning tunnelling microscopy to investigate the atomic-scale electronic structure of the Ca 2 CuO 2 Cl 2 parent Mott insulator of the cuprates. The full electronic spectrum across the Mott-Hubbard gap is uncovered for the first time, which reveals the particle-hole symmetric and spatially uniform Hubbard bands. Defect-induced charge carriers are found to create broad in-gap electronic states that are strongly localized in space. We show that the electronic structure of pristine Mott insulator is consistent with the Zhang-Rice singlet model, but the peculiar features of the doped electronic states require further investigations.

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Section: Resultsmentioning

confidence: 99%

Visualizing the atomic-scale electronic structure of the Ca2CuO2Cl2 Mott insulator

Cai

et al. 2013

Nat Commun

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“…Because in cuprates the doped holes reside on oxygen whereas the magnons reside on Cu [17], a one-band model may similarly fail to mimic their full interaction; (ii) they may predict the correct qp dispersion for the wrong reasons. Support for the latter view comes from our recent work on the U dd → ∞ limit of the Emery model; the resulting Hamiltonian has spins at the Cu sites and doped holes on the O sublattice [17]. In stark contrast to one-band models where spin fluctuations are key to obtaining the correct qp dispersion, here this is found even in their absence [18].…”

mentioning

confidence: 99%

“…This was shown to occur when degrees of freedom from different sublattices are mapped onto an effective one-band model [16]. Because in cuprates the doped holes reside on oxygen whereas the magnons reside on Cu [17], a one-band model may similarly fail to mimic their full interaction; (ii) they may predict the correct qp dispersion for the wrong reasons. Support for the latter view comes from our recent work on the U dd → ∞ limit of the Emery model; the resulting Hamiltonian has spins at the Cu sites and doped holes on the O sublattice [17].…”

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confidence: 99%

Non-Zhang-Rice Singlet Character of the First Ionization State of T-CuO

et al. 2016

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We argue that tetragonal CuO (T-CuO) has the potential to finally settle long-standing modelling issues for cuprate physics. We compare the one-hole quasiparticle (qp) dispersion of T-CuO to that of cuprates, in the framework of the strongly-correlated (U dd → ∞) limit of the three-band Emery model. Unlike in CuO2, magnetic frustration in T-CuO breaks the C4 rotational symmetry and leads to strong deviations from the Zhang-Rice singlet picture in parts of the reciprocal space. Our results are consistent with angle-resolved photoemission spectroscopy data but in sharp contradiction to those of a one-band model previously suggested for them. These differences identify T-CuO as an ideal material to test a variety of scenarios proposed for explaining cuprate phenomenology.

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“…Theoretical first principles calculations using local spin density approximation (LSDA + U) were performed for La 2 CuO 4 system, from which, we extract total and [16,17]. Obviously, the more the surrounding Cu spins align, the stronger this effect is, and the stronger the 7.2eV peak grows [c.f.…”

Section: Resultsmentioning

confidence: 99%

“…Several theoretical models have suggested the importance of the oxygen sites [2,3,[14][15][16]. However, local descriptions on how the doped hole correlated with the surrounding Cu spins remain hotly-debated among different theoretical models.…”

Section: Introductionmentioning

confidence: 99%

Unraveling local spin polarization of Zhang-Rice singlet in lightly hole-doped cuprates using high-energy optical conductivity

Santoso

Shirakawa

et al. 2017

Phys. Rev. B

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Unrevealing local magnetic and electronic correlations in the vicinity of charge carriers is crucial in order to understand rich physical properties in correlated electron systems. Here, using high-energy optical conductivity (up to 35 eV) as a function of temperature and polarization, we observe a surprisingly strong spin polarization of the local spin singlet with enhanced ferromagnetic correlations between Cu spins near the doped holes in lightly hole-doped La 1.95 Sr 0.05 Cu 0.95 Zn 0.05 O 4 . The changes of the local spin polarization manifest strongly in the temperature-dependent optical conductivity at ~7.2 eV, with an anomaly at the magnetic stripe phase (~25K), accompanied by anomalous spectral-weight transfer in a broad energy range. Supported by theoretical calculations, we also assign high-energy optical transitions and their corresponding temperature dependence, particularly at ~2.5eV, ~8.7eV, ~9.7eV, ~11.3eV and ~21.8 eV. Our result shows the importance of a strong mixture of spin singlet and triplet states in hole-doped cuprates and demonstrates a new strategy to probe local magnetic correlations using highenergy optical conductivity in correlated electron systems.

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High-Spin Polaron in Lightly DopedCuO2Planes

Cited by 85 publications

References 54 publications

Visualizing the atomic-scale electronic structure of the Ca2CuO2Cl2 Mott insulator

Visualizing the atomic-scale electronic structure of the Ca2CuO2Cl2 Mott insulator

Non-Zhang-Rice Singlet Character of the First Ionization State of T-CuO

Unraveling local spin polarization of Zhang-Rice singlet in lightly hole-doped cuprates using high-energy optical conductivity

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