This Reply to preceding Comment of arXiv:1909.09867 shows why the statements in the Comment are misleading. We point out that our physical picture and theirs are fundamentally different, therefore the claim of using their correlation to include ours shows a very limited physical relevance, which instead may impede the precise understanding of either of the two pictures.
In our recent work [Phys. Rev. Lett. 128, 137001 (2002)], we proposed that the apical oxygen vacancies act as anisotropic scattering impurities. Within the Born approximation, this leads to a quasi-particle scattering rate that is maximal (zero) in the antinodal (nodal) direction. This unique angular dependence provides a straightforward mechanism for some puzzling experimental results in overdoped La$_{2-x}$Sr$_x$CuO$_4$ (LSCO) films regarding the superfluid density $ρ_s$ and optical conductivity $σ_1$. In a recent comment by H. U. Ozdemir et al. [arXiv:2206.01301], the importance of the natu…
Cu K edge X-ray absorption spectra of overdoped superconducting $YSr_2Cu_{2.75}Mo_{0.25}O_{7.54}$ and $Sr_2CuO_{3.3}$ show a remarkably strong correlation of their superconductivity with the local dynamics of their Cu-Sr and Cu-apical-O pairs. This finding that the entire alkaline earth cation-apical O "dielectric" layer has an active role in the unusual electronic properties of cuprates has not been previously considered and has far reaching implications. We develop this idea of a possible role for the apical oxygen charge dynamics via a soft mode of the Sr by applying Kuramoto's synchronizat…
A study of the in-plane magnetic penetration depth λ_ab in a series of the cuprate superconductors Ca_2-xNa_xCuO_2Cl_2 (Na-CCOC) with Na content x=0.11, 0.12, 0.15, 0.18, and 0.19 is reported. The zero temperature values of λ_ab(0) were obtained by means of the muon-spin rotation technique, as well as from measurements of the intrinsic susceptibility χ^int(0) by using the procedure developed by Kanigel et al. [Phys.Rev.B 71, 224511 (2005)]. λ_ab at T=0K was found to increase with decreasing doping from λ_ab(0)=316(19)nm for the x=0.19 sample to λ_ab(0)=430(26)nm for the x=0.11 one. From a comp…
There is a hot debate on the anomalous behavior of superfluid density $ρ_s$ in overdoped La$_{2-x}$Sr$_x$CuO$_4$ films in recent years. The linear drop of $ρ_s$ at low temperatures implies the superconductors are clean, but the linear scaling between $ρ_s$ (in the zero temperature limit) and the transition temperature $T_c$ is a hallmark of the dirty limit in the Bardeen-Cooper-Schrieffer (BCS) framework [I. Bozovic et al., Nature 536, 309 (2016)]. This dichotomy motivated exotic theories beyond the standard BCS theory. We show, however, that such a dichotomy can be reconciled naturally by the…
Cuprates, a member of high-Tc superconductors, have been on the long-debate on their superconducting mechanism, so that predicting the critical temperature of cuprates still remains elusive. Herein, using machine learning and first principle calculations, we predict the maximum superconducting transition temperature (Tc,max) of hole-doped cuprates and suggest the explicit functional form for Tc,max with the root-mean-square-error of 3.705 K and the coefficient of determination R2 of 0.969. We employed two machine learning models; one is a parametric brute force searching method and another is …
In high Tc superconductors the magnetic and electronic properties are determined by the probability that valence electrons virtually jump from site to site in the CuO2 planes, a mechanism opposed by on-site Coulomb repulsion and favored by hopping integrals. The spatial extent of the latter is related to transport properties, including superconductivity, and to the dispersion relation of spin excitations (magnons). Here, for three antiferromagnetic parent compounds (single-layer Bi2Sr0.99La1.1CuO6+delta, double-layer Nd1.2Ba1.8Cu3O6 and infinite-layer CaCuO2) differing by the number of apical …
Microscopic theory of a high Tc cuprate BiSCO based on main pairing channel of electrons in CuO planes due to 40meV lateral vibrations of the apical oxygen atoms in adjacent the SrO ionic insulator layer is proposed. The separation between the vibrating charged atoms and the 2D electron gas creates the forward scattering peak leading in turn to the d-wave pairing within Eliashberg formalism. The phonon mode naturally explain the kink in dispersion relation observed by ARPES and the and effect of the O16 to O18 isotope substitution in the normal state. To describe the pseudogap physics a single…
The abstract of Phys. Rev. Lett. 121, 157001 (2018) claims to "demonstrate, using ab initio computations, a new trend suggesting that the cuprates with stronger out-of-CuO$_{2}$-plane chemical bonding between the apical anion (O, Cl) and apical cation (e.g., La, Hg, Bi, Tl) are generally correlated with higher $T_{c\,\max}$ in experiments". We point out that this trend is included in the long-known [Phys. Rev. Lett. 87, 047003 (2001)] correlation of $T_{c\,\max}$ with the hopping range of the electrons at (the most interlayer-bonding sheet of) the Fermi-surface. Contrary to the impression give…
Using a newly developed first-principles Wannier-states approach that takes into account large on-site Coulomb repulsion, we derive the effective low-energy interacting Hamiltonians for several prototypical high-$T_c$ superconducting cuprates. The material dependence is found to originate primarily from the different energy of the apical atom $p_z$ state. Specifically, the general properties of the low-energy hole state, namely the Zhang-Rice singlet, are significantly modified by a triplet state associated with this $p_z$ state, via additional intra-sublattice hoppings, nearest-neighbor "supe…
Recently, scanning tunneling microscopy on Bi-2212 cuprate superconductor has revealed a spatial variation of the energy gap that is directly correlated with a modulation of the apical oxygen position. We identify two mechanisms by which out-of-plane oxygens can modulate the pairing interaction within the CuO_2 layer: a covalency between the x^2-y^2 band and apical p-orbital, and a screening of correlation U by apical oxygen polarization. Both effects strongly depend on the apical oxygen position and their cooperative action explains the experiment.
This is a reply to the comment by O. Narikiyo (cond-mat/0012505) on our paper J. Phys. Soc. Jpn. {\bf 68}, (1999) 1614. We point out mistakes about his arguments, and we show that our analysis is compatible with the established Fermi liquid theory, so the obtained result is justified.
The paper briefly surveys theoretical models for the polar Kerr effect (PKE) and time-reversal symmetry breaking in the pseudogap phase of cuprate superconductors. By elimination, the most promising candidate is the tilted loop-current model, obtained from the Simon-Varma model by tilting one triangular loop up and another one down toward the apical oxygens. The model is consistent with the PKE, spin-polarized neutron scattering, and optical anisotropy measurements. Spontaneous currents in this model flow between the in-plane and apical oxygens in such a manner that each oxygen belongs to one …
The comment criticisms (cond-mat/0501288) are completely out of line with the context of the commented theory (Phys. Rev. Lett. v.93, 217002 (2004)). The comment neglected essential parts of the theory, which actually addressed all relevant experimental observations. I argue that the coexistence of the large Nernst signal and the insulating-like in-plane resistivity in underdoped cuprates rules out the vortex scenario, but agrees remarkably well with our theory.
In classical superconductors Cooper-pair formation and phase coherence occur simultaneously as the temperature is lowered below Tc. In high-temperature superconductors (HTSC), on the other hand, the small superfluid density and low associated phase stiffness of the superconducting condensate are expected to lead to a separation of the Cooper-pair formation and the phase-coherence temperatures, especially in underdoped materials [3]. The only real phase transition in this scenario is the 3d-XY phase-ordering transition at Tc [3,4]. In our Letter [2] we showed that Tc in underdoped and optimally…
In our recent paper entitled "Pairing mechanism of high-temperature superconductivity: Experimental constraints" (to be published in Physica Scripta, arXiv:1012.2368), we review some crucial experiments that place strong constraints on the microscopic pairing mechanism of high-temperature superconductivity in cuprates. In particular, we show that phonons rather than spin-fluctuation play a predominant role in the microscopic pairing mechanism. We further show that the intrinsic pairing symmetry in the bulk is not d-wave, but extended s-wave (having eight line nodes) in hole-doped cuprates and …
Using the apical oxygen doping mechanism, i.e. a partial substitution of divalence O for the monovalence Cl, a p-type oxychloride cuprate superconductor, Sr2CuO2+xCl2-y, was synthesized at high pressure high temperature. The x-ray diffraction refinement suggests the superconductor crystallizes into a 0201 structure with space group I4/mmm and lattice parameters being a=3.92A, c=15.6 A. The magnetic susceptibility as well as resistance measurements indicated that the bulk superconductivity with transition temperature 30K was achieved in the sample.
Electron-doped and hole-doped superconducting cuprates exhibit a symmetric phase diagram as a function of doping. This symmetry is however only approximate. Indeed, electron-doped cuprates become superconductors only after a specific annealing process: This annealing affects the oxygen content by only a tiny amount, but has a dramatic impact on the electronic properties of the sample. Here we report the occurrence of superconductivity in oxygen-deficient Nd$_{2-x}$Ce$_x$CuO$_4$ thin films grown in an oxygen-free environment, after annealing in pure argon flow. As verified by x-ray diffraction,…
A major open topic in cuprates is the interplay between the lattice and electronic dynamics and the importance of their coupling to the mechanism of high-temperature superconductivity (HTSC). As evidenced by Extended X-ray Absorption Fine Structure experiments (EXAFS), anharmonic structural effects are correlated with the charge dynamics and the transition to a superconducting phase in different HTSC compounds. Here we describe how structural anharmonic effects can be coupled to electronic and lattice dynamics in cuprate systems by performing the exact diagonalization of a prototype anharmonic…
Recent experiments on heterostructures composed of two or more films of cuprate superconductors of different oxygen doping levels\cite{Yuli,Gozar} have shown a remarkable T$_c$ enhancement (up to 50%) relative to single compound films. We provide here a simple explanation of the enhancement which arises naturally from a collection of experimental works. We show that the enhancement could be caused by a structural change in the lattice, namely an increase in the distance of the apical oxygen from the copper-oxygen plane. This increase modifies the effective off-site interaction in the plane whi…
Chemical substitution, combined with strain, allows the charge-transfer energy in hole-doped cuprates to be broadly tuned. We theoretically characterize the structural and electronic properties of the family of compounds $R_2$CuO$_2$S$_2$, constructed by sulfur replacement of the apical oxygens and rare earth substitutions in the parent cuprate La$_2$CuO$_4$. Additionally, the enthalpies of formation for possible synthesis pathways are determined.
We respond to P. Ao's comment in arXiv:1907.09263, which suggests that vortex many-body effects are the origin of Hall sign reversal in few-unit-cell thick Bi-2212 cuprate crystals (Phys. Rev. Lett. 122, 247001 (2019)). Our experimental results are incompatible with the theoretical predictions detailed in Ao's comment.
(CaCuO2)m/(La0.7Sr0.3MnO3)n superlattices, consisting of the infinite layers cuprate CaCuO2 and the optimally doped manganite La1-xSrxMnO3, were grown by pulsed laser deposition. The transport properties are dominated by the manganite block. X-Ray Absorption spectroscopy measurements show a clear evidence of an orbital reconstruction at the interface, ascribed to the hybridization between the Cu 3d3z2-r2 and the Mn 3d3z2-r2 orbitals via interface apical oxygen ions. Such a mechanism localizes holes at the interfaces, thus preventing charge transfer to the CaCuO2 block. Some charge (holes) tran…
The experimental investigations done in our paper Phys.Rev.B84,014522(2011) allowed us to establish that the superconducting fluctuations (SCF) always die out sharply with increasing T. But contrary to the claim done in the comment of Ramallo et al., this sharp cutoff of SCF measured in YBa2Cu3O{6+x} depends on hole doping and/or disorder. So our data cannot be used to claim for a universality of the extended gaussian Ginzburg Landau theory proposed by the authors of the comment. Furthermore, to explain quantitatively our data near optimal doping using this model they need to consider that flu…
The single-site dynamical mean-field approximation is used to solve a model of high-Tc cuprate superconductors which includes both d_{x^2-y^2} and d_{3z^2-r^2} orbitals on the Cu as well as the relevant oxygen states. Both T (with apical oxygen) and T' (without apical oxygen) crystal structures are considered. In both phases, inclusion of the d_{3z^2-r^2} orbital is found to broaden the range of stability of the charge transfer insulating phase. For equal charge transfer energies and interaction strengths, the T' phase is found to be less strongly correlated than the T phase. For both structur…
Our experiments \cite{Wang05,Li05,Wang06} persuade us that the Meissner transition at $T_c$ in hole-doped cuprates is driven by the loss of long-range phase coherence caused by singular phase fluctuations, a scenario at odds with the mean-field (MF), Gaussian Ginzburg Landau (GGL) approach advocated by Cabo, Mosquiera and Vidal \cite{Cabo}.
Recently a phonon exchange d - wave pairing mechanism in cuprates was proposed. The phonons are the lateral apical oxygen atoms vibrations. They generate the attractive pairing potential peaked at X point of the Brillouin zone, V (k) = exp [-2kda], where da is distance from the CuO planes. The model explains a rather paradoxical well known negative correlation of the optimal doping critical temperature Tcmax with da and increase of Tcmax with pressure. However the large disparities in Tcmax, especially in one - layer cuprate superconductors, from 39K for La2-xSrxCuO4, to 95K for HgBa2CuO4+x, c…
The superconducting properties of high-\tc\ materials are functions of carriers concentration, which is controlled by the concentration of defects including heterovalent cations, interstitial oxygen ions, and oxygen vacancies. Here we combine low-temperature thermal treatment of La$_{2-x}$Sr$_{x}$CuO$_{4}$ epitaxial thin films and confocal Raman spectroscopy to control and investigate oxygen vacancies. We demonstrate that the apical site is the most favorable position to accommodate oxygen vacancies under low-temperature annealing conditions. Additionally we show that in high-quality films of …
Many theoretical models of high temperature superconductivity focus only on the doping dependence of the CuO2 plane electronic structure. But such models are manifestly insufficient to explain the strong variations in superconducting critical temperature Tc among cuprates which have identical hole-density but are crystallographically different outside the CuO2 plane. A key challenge, therefore, has been to identify a predominant out-of-plane influence controlling the superconductivity - with much attention focusing on the distance $d_A$ between the apical oxygen and the planar copper atom. Her…
The checkerboard pattern in the differential conductance maps on underdoped cuprates appears when the STM is placed above the O-sites in the outermost CuO$_{\text{2}}$-plane. In this position the interference between tunneling paths through the apical ions above the neighboring Cu-sites leads to an asymmetric weighting of final states in the two antinodal regions of ${\boldsymbol{k}}$-space. The form of the asymmetry in the differential conductance spectra in the checkerboard pattern favors asymmetry in the localization length rather than a nematic displacement as the underlying origin.
The 63Cu nuclear quadrupole resonance (NQR) frequency, nu_q, in the multi-layered cuprates is calculated in the cluster model by the exact diagonalization method. The charge imbalance between the outer CuO_2 plane (OP) with apical oxygen (OA) and the inner plane (IP) without OA in three-layered Tl2223 is estimated by comparing our results with the experimental nu_q. In Tl-based cuprates with more than three layers, we predict a large enhancement of the splitting of nu_q between OP and IP by taking into account the reduction of bond length between Cu and OA and a resulting enhancement of the ch…
The prediction of transition temperatures can be regarded in several ways, either as an exacting test of theory, or as a tool for identifying theoretical rules for defining new homology models. Popular "first principle" methods for predicting transition temperatures in conventional crystalline superconductors have failed for cuprate HTSC, as have parameterized models based on CuO2 planes (with or without apical oxygen). Following a path suggested by Bayesian probability, we find that the glassy, self-organized dopant network percolative model is so successful that it defines a new homology cla…
We address the question of whether the superconducting transition temperature (Tc) of high-Tc cuprates is enhanced when randomly distributed dopant atoms form an ordered array in the charge reservoir layers. This study is possible for the Sr2CuO3+d superconductor with K2NiF4-type structure in which oxygen atoms only partially occupy the apical sites next to the CuO2 planes and act as hole-dopants. We show that remarkable Tc enhancement up to 95K in this mono CuO2 layered HTS is associated with the apical oxygen ordering, not to the hole concentration change. The result points a route toward fu…
A comprehensive angle resolved photoemission spectroscopy study of the band structure in single layer cuprates is presented with the aim of uncovering universal trends across different materials. Five different hole- and electron-doped cuprate superconductors (La$_{1.59}$Eu$_{0.2}$Sr$_{0.21}$CuO$_4$, La$_{1.77}$Sr$_{0.23}$CuO$_4$, Bi$_{1.74}$Pb$_{0.38}$Sr$_{1.88}$CuO$_{6+δ}$, Tl$_{2}$Ba$_{2}$CuO$_{6+δ}$, and Pr$_{1.15}$La$_{0.7}$Ce$_{0.15}$CuO$_{4}$) have been studied with special focus on the bands with predominately $d$-orbital character. Using light polarization analysis, the $e_g$ and $t_{…
High-temperature superconductivity has been discovered in La2-xBaxCuO4 [1], a compound that derives from the undoped La2CuO4 crystallizing in the perovskite T-structure. In this structure oxygen octahedra surround the copper ions. It is common knowledge that charge carriers induced by doping in such an undoped antiferromagnetic Mott-insulator lead to high-temperature superconductivity [2- 4]. The undoped material La2CuO4 is also the basis of the electron-doped cuprate superconductors [5] of the form La2-xCexCuO4+y [6,7] which however crystallize in the so called T-prime-structure, i.e. without…
High-temperature superconducting cuprates have the potential to be transformative in a wide range of energy applications. In this work we analyse the corpus of historical data about cuprates using materials informatics and re-examine how their structures are related to their critical temperatures (Tc). The available data is highly clustered and no single database contains all the features of interest to properly examine trends. To work around these issues we employ a linear calibration approach that allows us to utilise multiple data sources -- combining fine resolution data for which the Tc i…
We report on the epitaxial growth and surface structure of infinite-layer cuprate Sr1-xNdxCuO2 films on SrTiO3(001) substrates by combining ozone-assisted molecular beam epitaxy and in situ scanning tunneling microscopy. Careful substrate temperature and flux control has been used to achieve single-phase, stoichiometric, and c-axis oriented films. The surface of the films is usually characterized by a mixed CuO2 surface and gridlike superstructure. The superstructure exhibits a periodicity of 3.47 nm that corresponds to a coincidence lattice between the overlayer peroxide SrO2 and underlying C…
In order to explain the emergence of the anomalous pseudogap state and high-temperature superconductivity in the cuprates, intense research activity over three decades has focused on unravelling the connection between the various instabilities of the underdoped regime. In the high-temperature superconductor (Ca$_x$La$_{1-x}$)(Ba$_{1.75-x}$La$_{0.25+x}$)Cu$_3$O$_y$ (CLBLCO) isovalent chemical substitution produces smooth changes to the CuO$_2$ plane buckling and the Cu(II)-to-apical-oxygen distance, allowing us to study the interdependence of charge-density-wave (CDW) order, superconductivity a…
We study the thermally fluctuating state of a bi-layer cuprate superconductor under the periodic action of a staggered field oscillating at optical frequencies. This analysis distills essential elements of the recently discovered phenomenon of light enhanced coherence in YBa$_2$Cu$_3$O$_{6+x}$, which was achieved by periodically driving infrared active apical oxygen distortions. The effect of a staggered periodic perturbation is studied using a Langevin and Fokker-Planck description of driven, coupled Josephson junctions, which represent two neighboring pairs of layers and their two plasmons. …
Using a first principles linear response approach, we study the magnetic exchange interactions J for a series of superconducting cuprates. We reproduce the observed spin-wave dispersions together with other experimental trends, and show that different cuprates have similar J's regardless their T$_{c}$. The nearest neighbor J is not sensitive to the hole-doping, which agrees with recent experiments. For the undoped cuprates, the second nearest neighbor J is ferromagnetic, but changes its sign with hole-doping. We also find that, in contrast to the hopping integral, the exchange interaction is n…
Scanning tunneling microscopy/spectroscopy (STM/STS) measurements were carried out on a multi-layered cuprate superconductor Ba$_2$Ca$_5$Cu$_6$O$_{12}$(O$_{1-x}$,F$_x$)$_2$. STM topography revealed random spot structures with the characteristic length $\le 0.5$ nm. The conductance spectra dI/dV(V) show the coexistence of smaller gaps $Δ_S$ and large gaps (pseudogaps) $Δ_L$. The pseudogap-related features in the superconducting state were traced with the spatial resolution of $\sim$ 0.07 nm. Here, $I$ and $V$ are the tunnel current and bias voltage, respectively. The temperature, $T$, dependenc…
A series of new Sr2-xBaxCuO3+y (0 x 0.6) superconductors were prepared using high-pressure and high-temperature synthesis. A Rietveld refinement based on powder x-ray diffraction confirms that the superconductors crystallize in the K2NiF4-type structure of a space group I4/mmm similar to that of La2CuO4 but with partially occupied apical oxygen sites. It is found that the superconducting transition temperature Tc of this Ba substituted Sr2CuO3+y superconductor with constant carrier doping level, i.e., constant d, is controlled not only by order/disorder of apical-O atoms but also by Ba content…
Nonlinear optical excitation of infrared active lattice vibrations has been shown to melt magnetic or orbital orders and to transform insulators into metals. In cuprates, this technique has been used to remove charge stripes and promote superconductivity, acting in a way opposite to static magnetic fields. Here, we show that excitation of large-amplitude apical oxygen distortions in the cuprate superconductor YBa2Cu3O6.5 promotes highly unconventional electronic properties. Below the superconducting transition temperature (Tc = 50 K), interbilayer coherence is transiently enhanced at the expen…
We investigate the effect of disorder at various lattice sites outside the CuO$_2$ plane on the superconducting critical temperature $T_c$ of the cuprate superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ (Bi2212). The most effective disorder turns out to be that at the Sr site in the neighboring blocks, which contain apical-oxygen atoms. The Sr-site disorder reduces $T_c$ and also produces a residual component ($ρ_0$) in the in-plane resistivity, the magnitude of which is found to be proportional to the magnitude of $T_c$ reduction. We demonstrate that both $T_c$-degradation rate and $ρ_0$ decrease…
The superconducting phase of the $\mathrm{HgBa}_2\mathrm{CuO}_{4+δ}$ (Hg-1201) and $\mathrm{HgBa}_2\mathrm{Ca}_2\mathrm{Cu}_3\mathrm{O}_{8+δ}$ (Hg-1223) cuprates has been investigated by Raman spectroscopy under hydrostatic pressure. Our analysis reveals that the increase of $T_c$ with pressure is slower in Hg-1223 cuprate compared to the Hg-1201 due to a charge carrier concentration imbalance (accentuated by pressure) between the $\mathrm{CuO}_2$ layers of Hg-1223. We find that the energy variation under pressure of the apical oxygen mode from which the charge carriers are transferred to the …
We propose a Ginzburg-Landau phenomenological model for the dependence of the critical temperature on microscopic strain in tetragonal high-Tc cuprates. Such a model is in agreement with the experimental results for LSCO under epitaxial strain, as well as with the hydrostatic pressure dependence of Tc in most cuprates. In particular, a nonmonotonic dependence of Tc on hydrostatic pressure, as well as on in-plane or apical microstrain, is derived. From a microscopic point of view, such results can be understood as due to the proximity to an electronic topological transition (ETT). In the case o…
Motivated by the recent experimental determination of the three-dimensional Fermi surface of overdoped La-based cuprate superconductors [Horio et al., Phys. Rev. Lett. 2018, 121, 077004], we revisit the tight-binding parameterization of their conduction band. We construct a minimal tight-binding model entailing eight orbitals, two of them involving apical oxygen ions. Parameter optimization allows to almost perfectly reproduce the three-dimensional conduction band as obtained from density functional theory (DFT). We discuss how each parameter entering this multiband model influences it, and sh…
The strain derivatives of $T_c$ along the $a$ and $c$ axes have been determined for HgBa$_2$CuO$_{4+δ}$ (Hg1201), the simplest monolayer cuprate with the highest $T_c$ of all monolayer cuprates ($T_c$ = 97 K at optimal doping). The underdoped compound with the initial $T_c$ of 65 K has been studied as a function of pressure up to 20 GPa by magnetic susceptibility and X-ray diffraction (XRD). The observed linear increase in $T_c$ with pressure is the same as previously been found for the optimally-doped compound. The above results have enabled the investigation of the origins of the significant…
High-temperature cuprate superconductors have been known to exhibit significant pressure effects. In order to fathom the origin of why and how Tc is affected by pressure, we have recently studied the pressure effects on Tc adoptig a model that contains two cupper d-orbitals derived from first-principles band calculations, where the dz2 orbital is considere on top of the usually considered dx2-y2 orbital. In that paper, we have identified two origins for the Tc enhancement under hydrostatic pressure: (i) while at ambient pressure the smaller the hybridization of other orbital components the hig…
An intact CuO$_2$ plane is widely believed to be a prerequisite for the high-$T_c$ superconductivity in cuprate superconductors. However, an exception may exist in the superconducting Ba$_2$CuO$_{3+δ}$ materials where CuO chains play a more important role. From first-principles density functional theory calculations, we have studied the electronic and magnetic structures of Ba$_2$CuO$_{3+δ}$. The stoichiometric Ba$_2$CuO$_3$ and Ba$_2$CuO$_4$ contain quasi-one-dimensional CuO chains and intact two-dimensional CuO$_2$ planes, respectively. In comparison with the nonmagnetic metal Ba$_2$CuO$_4$,…
Polycrystalline samples and submillimeter size single crystals of Na-doped Ca2CuO2Cl2 have been synthesized under high pressure. A series of experiments showed that the Na content depends not only on the pressure during the synthesis but also on the synthesis temperature and time. From a comparison of the Na-CCOC data with those of structurally related La214 cuprate superconductors we concluded that chlorine at the apical site is less effective that oxygen in supplying charge carriers to the CuO2 plans. As a result, the coupling between the CuO2 planes is weakened, the transition temperature T…
The interplay between the quasi 1-dimensional CuO-chains and the 2-dimensional CuO2 planes of YBa2Cu3O6+x (YBCO) has been in focus for a long time. Although the CuO-chains are known to be important as charge reservoirs that enable superconductivity for a range of oxygen doping levels in YBCO, the understanding of the dynamics of its temperature-driven metal-superconductor transition (MST) remains a challenge. We present a combined study using x-ray absorption spectroscopy and resonant inelastic x-ray scattering (RIXS) revealing how a reconstruction of the apical O(4)-derived interplanar orbita…
