Electronic structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CuO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>planes: From insulator to superconductor

Larosa, S.; Vobornik, I.; Zwick, F.; Berger, H.; Grioni, M.; Margaritondo, G.; Kelley, R. J.; Onellion, M.; Chubukov, Andrey V.

doi:10.1103/physrevb.56.r525

Cited by 87 publications

(84 citation statements)

References 24 publications

(19 reference statements)

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“…Although some controversial results have been obtained, various studies including exact diagonalization [2,3], series expansion [4], and Monte Carlo simulations [5,6] enable us to understand the hole-dynamics quantitatively, at least to some extent. In particular, these studies all obtained minima of the single-hole dispersion relation at lattice momenta (± π 2a , ± π 2a ) in the Brillouin zone of the square lattice which is in agreement with experimental results [7,8,9].…”

Section: Introductionsupporting

confidence: 76%

Loop-cluster simulation of the zero- and one-hole sectors of thet−Jmodel on the honeycomb lattice

et al. 2008

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Inspired by the lattice structure of the unhydrated variant of the superconducting material NaxCoO2·yH2O at x = 1 3 , we study the t-J model on a honeycomb lattice by using an efficient loop-cluster algorithm. The low-energy physics of the undoped system and of the single hole sector is described by a systematic low-energy effective field theory. The staggered magnetization per spin f Ms = 0.2688(3), the spin stiffness ρs = 0.102(2)J, the spin wave velocity c = 1.297(16)Ja, and the kinetic mass M ′ of a hole are obtained by fitting the numerical Monte Carlo data to the effective theory predictions.

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Section: Introductionsupporting

confidence: 76%

Loop-cluster simulation of the zero- and one-hole sectors of thet−Jmodel on the honeycomb lattice

et al. 2008

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“…5c); the exciton QP displays a steep drop in intensity as (p/2,p/2) is crossed. This is a generic feature predicted for a hole in a t-J model within an SCBA approach 41 and indirectly inferred from ARPES measurements on cuprates 42 . Although some deviations from the cuprate physics might have been expected on general grounds due to fundamentally different nature of a hole and an exciton, and material-specific differences between Sr 2 IrO 4 and cuprates, the striking agreement down to a level of fine details with theories constructed for hole dynamics in cuprates demonstrates excellent parallel between the low-energy physics of Sr 2 IrO 4 and the cuprates.…”

Section: Article Nature Communications | Doi: 101038/ncomms5453mentioning

confidence: 99%

Excitonic quasiparticles in a spin–orbit Mott insulator

et al. 2014

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In condensed matter systems, out of a large number of interacting degrees of freedom emerge weakly coupled quasiparticles (QPs), in terms of which most physical properties are described. The lack of identification of such QPs is a major barrier for understanding myriad exotic properties of correlated electrons, such as unconventional superconductivity and non-Fermi liquid behaviours. Here we report the observation of a composite particle in a quasi-two-dimensional spin-1/2 antiferromagnet Sr 2 IrO 4 -an exciton dressed with magnons-that propagates with the canonical characteristics of a QP: a finite QP residue and a lifetime longer than the hopping time scale. The dynamics of this charge-neutral excitation mirrors the fundamental process of the analogous one-hole propagation in the background of spins-1/2, and reveals the same intrinsic dynamics that is obscured for a single, charged-hole doped into two-dimensional cuprates.

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“…Although this problem was later solved by the LDA+U method [7], these calculations miss the important ZR physics and are unable to address the low-energy scale. On the other hand, t − J and t − t ′ − t ′′ − J model calculations have successfully reproduced the ZR dispersion as compared to the ARPES data [18,19,20,21,22]. A hot discussion has appeared in the literature around most recent ARPES experiments which have shown that the ZR band vanishes as the wave vector approaches the Γ point, with the spectral weight seemingly transferring to higher-energies as the "waterfall" [14].…”

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confidence: 99%

Calculated Momentum Dependence of Zhang-Rice States in Transition Metal Oxides

et al. 2008

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Using a combination of local density functional theory and cluster exact diagonalization based dynamical mean field theory, we calculate many body electronic structures of several Mott insulating oxides including undoped high Tc materials. The dispersions of the lowest occupied electronic states are associated with the Zhang-Rice singlets in cuprates and with doublets, triplets, quadruplets and quintets in more general cases. Our results agree with angle resolved photoemission experiments including the decrease of the spectral weight of the Zhang-Rice band as it approaches k=0.Quasiparticle excitations in insulating transition metal oxides (TMOs) such as classical Mott-Hubbard systems or undoped high temperature superconductors (HTSCs) have been puzzling electronic structure theorists for many years [1,2]. While photoemission experiments in these materials show [3] the existence of the d-states located both right below the Fermi energy and at much higher binding energies (typically ∼10 eV), it is difficult to understand this genuine many-body redistribution of the spectral weight using calculations based on a static mean field theory [4,5], such as the density functional theory (DFT) in its local density approximation (LDA) [6]. Modern approaches, such as LDA+U [7], can differentiate between charge-transfer and Mott-Hubbard natures of these systems [8], but still have difficulties in recovering insulating behavior of the paramagnetic (PM) state and tackling more complicated many-body features such as Zhang-Rice (ZR) singlet of HTSCs [3,9]. Only most recent developments based on a combination of local density approximation (LDA) and dynamical mean field theory (DMFT) [10] have started to address those issues [11,12,13].In the present work, using a novel implementation of LDA plus cluster exact diagonalization based DMFT we demonstrate how to obtain accurate spectra of transition metal oxides and, in particular, describe full momentum dependent low-energy excitations associated in those systems with antiferromagnetic (AFM) Kondo-like coupling between a spin of oxygen hole injected by photoemission process and a local magnetic moment of the transition metal ion. These narrow energy bands are composed from the well known Zhang-Rice singlet states in cuprates [9], which have recently renewed their attention in connection with the disappearance of their spectral weight as the wave vector approaches the Brillouin Zone (BZ) center, and the observed high energy kink entitled as "waterfall" feature [14]. Zhang-Rice doublets have been discussed in NiO [15], and their further generalizations to triplets (CoO), quadruplets (FeO) and quintets (MnO) all naturally emerge from our LDA+DMFT calculations. We find that the ZR states exhibit a similar behavior in all systems including the loss of their spectral weight at the Γ point, which can be understood as the lack of hybridization between transition metal d states and neighboring oxygen p states, the effect most pronounced in HTSCs. There is a generally good agreement between o...

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Electronic structure ofCuO2planes: From insulator to superconductor

Cited by 87 publications

References 24 publications

Loop-cluster simulation of the zero- and one-hole sectors of thet−Jmodel on the honeycomb lattice

Loop-cluster simulation of the zero- and one-hole sectors of thet−Jmodel on the honeycomb lattice

Excitonic quasiparticles in a spin–orbit Mott insulator

Calculated Momentum Dependence of Zhang-Rice States in Transition Metal Oxides

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