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Magnetic phase diagram of a two-orbital model for bilayer nickelates with varying doping

Motivated by the recently discovered high-T c bilayer nickelate superconductor La 3⁢ Ni 2 ⁢O 7 , we comprehensively research a bilayer 2×2×2 cluster for different electronic densities n by using the Lanczos method. We also employ the random-phase approximation to quantify the first magnetic instability with increasing Hubbard coupling strength, also varying n. Based on the spin structure factor S(q), we have obtained a rich magnetic phase diagram in the plane defined by n and U/W, at fixed Hund coupling, where U is the Hubbard strength and W the bandwidth. We have observed numerous states, such as A-AFM, Stripes, G-AFM, and C-AFM. At half-filling, n=2 (two electrons per Ni site, corresponding to N=16 electrons), the canonical superexchange interaction leads to a robust G-AFM state (π,π,π) with antiferromagnetic couplings both in-plane and between layers. By increasing or decreasing electronic densities, ferromagnetic tendencies emerge from the “half-empty” and “half-full” mechanisms, leading to many other interesting magnetic tendencies. In addition, the spin-spin correlations become weaker both in the hole or electron doping regions compared with half-filling. At n=1.5 (or N=12), density corresponding to La 3 ⁢Ni 2 ⁢O 7 , we obtained the “Stripe 2” ground state (antiferromagnetic coupling in one in-plane direction, ferromagnetic coupling in the other, and antiferromagnetic coupling along the z axis) in the 2×2×2 cluster. In addition, we obtained a much stronger AFM coupling along the z axis than the magnetic coupling in the xy plane. The random-phase approximation calculations with varying n give very similar results as Lanczos, even though both techniques are based on quite different procedures. Additionally, a state with q/π=(0.6,0.6,1) close to the E-phase wavevector is found in our RPA calculations by slightly reducing the filling to n=1.25, possibly responsible for the E-phase SDW recently observed in experiments. In conclusion, our predictions can be tested by chemically doping La 3 ⁢Ni 2 ⁢O 7 .

36 MATERIALS SCIENCE↗

Boson localization and universality in YBa2Cu(3-x)M(x)O(7-delta)

We consider a two component mixture of charged fermions on neutralizing background with all sign combinations and arbitrarily small mass ratios. In the two impurity limit for the heavier component we show that the pair forms a bound state for all charge combinations. In the lowest order approximation we derive a closed form expression Veff(r) for the binding potential which has short-range repulsion followed by attraction. In the classical limit, when the mass of embedded particles is large m2 much greater than m, we can calculate from Veff(r) also the cohesive energy E and the bond length R of a metallic crystal such as lithium. The lowest order result is R = 3.1 A, E = -0.9 eV, not entirely different from the experimental result for lithium metal. The same interaction for two holes on a parabolic band with m2 greater than m gives the quantum mechanical bound state which one may interpret as a boson or local pair in the case of high-Te and heavy fermion superconductors. We also show that for compounds of the type YBa2Cu(3 - x)M(x)O(7 - delta) one can understand most of the experimental results for the superconducting and normal states with a single temperature dependent boson breaking function f(T) for each impurity content x governing the decay of bosons into pairing fermions. In the normal state f(T) turns out to be a linear, universal function, independent of the impurity content I and the oxygen content delta. We predict with universality a depression in Tc(x) with slight down bending in agreement with experiment. As a natural consequence of the model the bosons become localized slightly above Tc due to the Wigner crystallization, enhanced with lattice local field minima. The holes remain delocalized with a linearly increasing concentration in the normal state, thus explaining the rising Hall density. The boson localization temperature T(sub BL) shows up as a minimum in the Hall density R(sub ab)(exp -1). We also give explanation for very recently observed scaling of temperature dependent Hall effect in La(2 - x)Sr(x)CuO4.

Kallio, A.↗

Structural, dynamical and electronic properties of CaCuO2

The scalar relativistic version of an accurate first principles full potential self-consistent linearized muffin tin orbital (LMTO) method has been employed for describing the physical properties of the parent system of the high-T(sub c) oxide superconductors, i.e., CaCuO2. The presently employed modified version of the LMTO method is quite fast and goes beyond the usual LMTO ASA method in the sense that it permits a completely general shape of the potential and the charge density. Also, in contrast to LMTO ASA, the present method is also capable of treating distorted lattice structures accurately. The calculated values of the lattice parameters of pure CaCuO2 lie within 3% of the experimentally measured values for the Sr-doped system Ca(0.86)Sr(0.14)CuO(2). The computed electronic structures and the density of states is quite similar to those of the other oxide superconductors, except of their three- dimensional character because of the presence of strong coupling between the closely spaced CuO2 layers. The van Hove singularity peak appears slightly below the Fermi level and a small concentration of oxygenation /or/ substitutional doping may pin it at the Fermi level. The calculated frequencies for some symmetric frozen phonons for undoped CaCuO2 are quite near to the measured data for the Sr-doped CaCuO2.

Agrawal, Bal K.↗

Changes in the superconducting properties of high-T(sub c) ceramics produced by applied electric fields

Effect of an electrostatic field in the electrode-insulator-superconductor system on the current-voltage characteristics of high-T(sub c) ceramics with various composition and different preparation technology has been studied at 77 K. Ceramics of Y-Ba-Cu-O (123) and Bi-Pb-Sr-Ca-Cu-O (2223) systems and also ones doped by Ag have been used. Electric field strength has been up to 140 MV/m. It has been shown that there are reversible changes in the critical current I(sub c) and in the conductivity in electric field at the currents somewhat more than I(sub c) at T is less than T(sub c), while at T is greater than T(sub c) the noticeable electric field effect has not been found. These effects are qualitatively similar in both ceramic systems. High negative and positive gate voltages result in an increase of the conductivity. The electric field effect is modified by magnetic field H. The field effect decreases with increasing magnetic field and disappears at H is greater than 30 Oe. In Y-Ba-Cu-O/Ag (10 wt. percent) ceramics the field effect is practically absent. It may be supposed that in the ceramics the field-induced effect is consistent with weak links at grain boundaries.

Smirnov, B. I.↗

High Tc superconductors: The scaling of Tc with the number of bound holes associated with charge transfer neutralizing the multivalence cations

It is observed that for the known high-T(sub c) Cu-, Tl-, and Bi-based superconductors, T(sub c) scales consistently with the number of bound holes per unit cell which arise from charge transfer excitations of frequency approximately = 3 x 10(exp 13) that neutralized the multivalence cations into diamagnetic states. The resulting holes are established on the oxygens. Extrapolation of this empirical fit in the up-temperature direction suggests a T(sub c) of about 220-230 K at a value of 25 holes/unit cell (approximately the maximum that can be materials-engineered into a high-T(sub c) K2MnF4 or triple Perovskite structure). In the down-temperature direction, the extrapolation gives a T(sub c) in the vicinity of 235 K for the Y-Ba-Cu-O system as well as the known maximum temperature of 23 K for low-T(sub c) materials shown by Nb3Ge. The approach is also consistent with the experimental findings that only multivalence ions which are diamagnetic in their atomic state (Cu, Tl, Bi, Pb, and Sb) associate with high-T(sub c) compounds.

Vezzoli, G. C.↗

Magnetic forces in high-Tc superconducting bearings

In September 1987, researchers at Cornell levitated a small rotor on superconducting bearings at 10,000 rpm. In April 1989, a speed of 120,000 rpm was achieved in a passive bearing with no active control. The bearing material used was YBa2Cu307. There is no evidence that the rotation speed has any significant effect on the lift force. Magnetic force measurements between a permanent rare-earth magnet and high T(sub c) superconducting material versus vertical and lateral displacements were made. A large hysteresis loop results for large displacements, while minor loops result for small displacements. These minor loops seem to give a slope proportional to the magnetic stiffness, and are probably indicative of flux pinning forces. Experiments of rotary speed versus time show a linear decay in a vacuum. Measurements of magnetic dipole over a high-T(sub c) superconducting disc of YBCO show that the lateral vibrations of levitated rotors were measured which indicates that transverse flux motion in the superconductor will create dissipation. As a result of these force measurements, an optimum shape for the superconductor bearing pads which gives good lateral and axial stability was designed. Recent force measurements on melt-quench processed superconductors indicate a substantial increase in levitation force and magnetic stiffness over free sintered materials. As a result, application of high-T(sub c) superconducting bearings are beginning to show great promise at this time.

Moon, F. C.↗

Magnetic forces in high-T(sub c) superconducting bearings

In September 1987 research at Cornell levitated a small rotor on superconducting bearing at 10,000 rpm. In April 1989 a speed of 120,000 rpm was achieved in a passive bearing with no active control. The bearing material used was YBa2Cu3O7. There is no evidence that the rotation speed has any significant effect on the lift force. Magnetic force measurements between a permanent rare-earth magnet and high T(sub c) superconducting material versus vertical and lateral displacements were made. A large hysteresis loop results for large displacements, while minor loops result for small displacements. These minor loops seem to give a slope proportional to the magnetic stiffness, and are probably indicative of flux pinning forces. Experiments of rotary speed versus time show a linear decay in a vacuum. Measurements of magnetic drag forces of a magnetic dipole over a high-T(sub c) superconducting disc of YBCO show that the drag force reaches a constant value, independent of the speed. Dampling of lateral vibrations of levitated rotors were measured which indicates that transverse flux motion in the superconductor will create dissipation. As a result of these force measurements, an optimum shape for the superconductor bearing pads which gives good lateral and axial stability was designed. Recent force measurements on melt-quench processed superconductors indicate a substantial increase in levitation force and magnetic stiffness over free sintered materials. As a result, application of high-T(sub c) superconducting bearings are beginning to show great promise at this time.

Moon, F. C.↗

Aspects of passive magnetic levitation based on high-T(sub c) superconducting YBCO thin films

Passive magnetic levitation systems reported in the past were mostly confined to bulk superconducting materials. Here we present fundamental studies on magnetic levitation employing cylindrical permanent magnets floating above high-T(sub c) superconducting YBCO thin films (thickness about 0.3 mu m). Experiments included free floating rotating magnets as well as well-established flexible beam methods. By means of the latter, we investigated levitation and drag force hysteresis as well as magnetic stiffness properties of the superconductor-magnet arrangement. In the case of vertical motion of the magnet, characteristic high symmetry of repulsive (approaching) and attractive (withdrawing) branches of the pronounced force-displacement hysteresis could be detected. Achievable force levels were low as expected but sufficient for levitation of permanent magnets. With regard to magnetic stiffness, thin films proved to show stiffness-force ratios about one order of magnitude higher than bulk materials. Phenomenological models support the measurements. Regarding the magnetic hysteresis of the superconductor, the Irie-Yamafuji model was used for solving the equation of force balance in cylindrical coordinates allowing for a macroscopic description of the superconductor magnetization. This procedure provided good agreement with experimental levitation force and stiffness data during vertical motion. For the case of (lateral) drag force basic qualitative characteristics could be recovered, too. It is shown that models, based on simple asymmetric magnetization of the superconductor, describe well asymptotic transition of drag forces after the change of the magnet motion direction. Virgin curves (starting from equilibrium, i.e. symmetric magnetization) are approximated by a linear approach already reported in literature only. This paper shows that basic properties of superconducting thin films allow for their application to magnetic levitation or - without need of levitation forces, e.g. microgravity - magnetic damping devices.

Schoenhuber, P.↗

Concepts of flywheels for energy storage using autostable high-T(sub c) superconducting magnetic bearings

A flywheel for energy storage using autostable high-T(sub c) superconducting magnetic bearings has been built. The rotating disk has a total weight of 2.8 kg. The maximum speed is 9240 rpm. A process that allows accelerated, reliable and reproducible production of melt-textured superconducting material used for the bearings has been developed. In order to define optimum configurations for radial and axial bearings, interaction forces in three dimensions and vertical and horizontal stiffness have been measured between superconductors and permanent magnets in different geometries and various shapes. Static as well as dynamic measurements have been performed. Results are being reported and compared to theoretical models.

Bornemann, Hans J.↗

Gapped commensurate antiferromagnetic response in a strongly underdoped model cuprate superconductor

It is a distinct possibility that spin fluctuations are the pairing interactions in numerous unconventional superconductors. In the high-transition-temperature (high-T c ) cuprates, superconductivity emerges upon doping antiferromagnetic Mott insulators, and spin fluctuations might furthermore drive unusual pseudogap phenomena. Here we use magnetic neutron scattering to study the highly underdoped cuprate HgBa 2 CuO 4+δ (hole concentration p ≈ 0.064). In contrast to prior results for other underdoped cuprates, we find no evidence of incommensurate magnetic order associated with spin-density-wave or stripe correlations. Instead, the antiferromagnetic response in both the superconducting and pseudogap states is gapped below Δ AF ≈ 6 meV, commensurate over a wide energy range, and disperses above about 55 meV. Given the pristine nature of HgBa 2 CuO 4+δ , which exhibits high structural symmetry and minimal point disorder effects, this behavior likely signifies the unmasked response of the underlying CuO 2 planes near the Mott-insulating state. These results serve as a benchmark for a refined theoretical understanding of the cuprates.

Materials science↗

Expert evaluation of LLM world models: A high-T c superconductivity case study

Large Language Models (LLMs) show great promise as a powerful tool for scientific literature exploration. However, their effectiveness in providing scientifically accurate and comprehensive answers to complex questions within specialized domains remains an active area of research. Using the field of high-temperature cuprates as an exemplar, we evaluate the ability of LLM systems to understand the literature at the level of an expert. We construct an expert-curated database of 1,726 scientific papers that covers the history of the field, and a set of 67 expert-formulated questions that probe deep understanding of the literature. We then evaluate six different LLM-based systems for answering these questions, including both commercially available closed models and a custom retrieval-augmented generation (RAG) system capable of retrieving images alongside text. Experts then evaluate the answers of these systems against a rubric that assesses balanced perspectives, factual comprehensiveness, succinctness, and evidentiary support. Among the six systems, two using RAG on curated literature outperformed existing closed models across key metrics, particularly in providing comprehensive and well-supported answers. We discuss promising aspects of LLM performances as well as critical short-comings of all the models. The set of expert-formulated questions and the rubric will be valuable for assessing expert level performance of LLM based reasoning systems.

36 MATERIALS SCIENCE↗

Electronic materials high-T(sub c) superconductivity polymers and composites structural materials surface science and catalysts industry participation

The fifth year of the Center for Advanced Materials was marked primarily by the significant scientific accomplishments of the research programs. The Electronics Materials program continued its work on the growth and characterization of gallium arsenide crystals, and the development of theories to understand the nature and distribution of defects in the crystals. The High Tc Superconductivity Program continued to make significant contributions to the field in theoretical and experimental work on both bulk materials and thin films and devices. The Ceramic Processing group developed a new technique for cladding YBCO superconductors for high current applications in work with the Electric Power Research Institute. The Polymers and Composites program published a number of important studies involving atomistic simulations of polymer surfaces with excellent correlations to experimental results. The new Enzymatic Synthesis of Materials project produced its first fluorinated polymers and successfully began engineering enzymes designed for materials synthesis. The structural Materials Program continued work on novel alloys, development of processing methods for advanced ceramics, and characterization of mechanical properties of these materials, including the newly documented characterization of cyclic fatigue crack propagation behavior in toughened ceramics. Finally, the Surface Science and Catalysis program made significant contributions to the understanding of microporous catalysts and the nature of surface structures and interface compounds.

Source record↗

The mechanism of high-T(sub c) superconductivity due to bound hole mediators: Relationship to ferroelectricity

The mediation by bound holes creating Cooper pairing in high T(sub c) superconductors has its origin in charge transfer excitations on the multivalence cation (virtual excitions) and in bound excitions or polarizations associated with the oxygen 2p electrons. These phenomena are produced and/or enhanced by a high internal electric field which is itself created by virtue of the unique crystal structures and polyhedral building blocks of high T(sub c) materials. The polarizations which can create oxygen holes (in addition to excitions) may be due to simply the internal electric field or to polaronic and electron-deficient bond behavior. This gives rise to two energy-dependent oxygen bands near the Fermi level. The magnitude and direction of the internal electric fields were calculated for Y1Ba2Cu3O(7-delta) (1-2-3) and show strong z-direction fields at the Cu(2), O2, and O3 sites and an even stronger -z direction field at the O4 site. The field calculations also show why electrical conductivity in the 1-2-3 material is essentially in the base plane of the CuO5 pyramid (the CuO2 plane).

Vezzoli, G. C.↗

Characterization of devices, circuits, and high-temperature superconductor transmission lines by electro-optic testing

The development of a capability for testing transmission lines, devices, and circuits using the optically-based technique of electro-optics sampling was the goal of this project. Electro-optic network analysis of a high-speed device was demonstrated. The project involved research on all of the facets necessary in order to realize this result, including the discovery of the optimum electronic pulse source, development of an adequate test fixture, improvement of the electro-optic probe tip, and identification of a device which responded at high frequency but did not oscillate in the test fixture. In addition, during the process of investigating patterned high-critical-temperature superconductors, several non-contacting techniques for the determination of the transport properties of high T(sub c) films were developed and implemented. These are a transient, optical pump-probe, time-resolved reflectivity experiment, an impulsive-stimulated Raman scattering experiment, and a terahertz-beam coherent-spectroscopy experiment. The latter technique has enabled us to measure both the complex refractive index of an MgO substrate used for high-T(sub c) films and the complex conductivity of a YBa2Cu3O(7-x) sample. This information was acquired across an extremely wide frequency range: from the microwave to the submillimeter-wave regime. The experiments on the YBCO were conducted without patterning of, or contact to, the thin film. Thus, the need for the more difficult transmission-line experiments was eliminated. Progress in all of these areas was made and is documented in a number of papers. These papers may be found in the section listing the abstracts of the publications that were issued during the course of the research.

Whitaker, John F.↗

Experimental design for the evaluation of high-T(sub c) superconductive thermal bridges in a sensor satellite

Infrared sensor satellites, which consist of cryogenic infrared sensor detectors, electrical instrumentation, and data acquisition systems, are used to monitor the conditions of the earth's upper atmosphere in order to evaluate its present and future changes. Currently, the electrical connections (instrumentation), which act as thermal bridges between the cryogenic infrared sensor and the significantly warmer data acquisition unit of the sensor satellite system, constitute a significant portion of the heat load on the cryogen. As a part of extending the mission life of the sensor satellite system, the researchers at the National Aeronautics and Space Administration's Langley Research Center (NASA-LaRC) are evaluating the effectiveness of replacing the currently used manganin wires with high-temperature superconductive (HTS) materials as the electrical connections (thermal bridges). In conjunction with the study being conducted at NASA-LaRC, the proposed research is to design a space experiment to determine the thermal savings on a cryogenic subsystem when manganin leads are replaced by HTS leads printed onto a substrate with a low thermal conductivity, and to determine the thermal conductivities of HTS materials. The experiment is designed to compare manganin wires with two different types of superconductors on substrates by determining the heat loss by the thermal bridges and providing temperature measurements for the estimation of thermal conductivity. A conductive mathematical model has been developed and used as a key tool in the design process and subsequent analysis.

Scott, Elaine P.↗

Chemical vapor deposition of high T(sub c) superconducting films in a microgravity environment

Since the discovery of the YBaCuO bulk materials in 1987, Metalorganic Chemical Vapor Deposition (MOCVD) has been proposed for preparing HTSC high T(sub c) films. This technique is now capable of producing high-T(sub c) superconducting thin films comparable in quality to those prepared by any other methods. The MOCVD technique has demonstrated its superior advantage in making large area high quality HTSC thin films and will play a major role in the advance of device applications of HTSC thin films. The organometallic precursors used in the MOCVD preparation of HTSC oxide thin films are most frequently metal beta-diketonates. High T(sub c) superconductors are multi-component oxides which require more than one component source, with each source, containing one kind of precursor. Because the volatility and stability of the precursors are strongly dependent on temperature, system pressure, and carrier gas flow rate, it has been difficult to control the gas phase composition, and hence film stoichiometry. In order circumvent these problems we have built and tested a single source MOCVD reactor in which a specially designed vaporizer was employed. This vaporizer can be used to volatilize a stoichiometric mixture of diketonates of yttrium, barium and copper to produce a mixed vapor in a 1:2:3 ratio respectively of the organometellics. This is accomplished even though the three compounds have significantly different volatilities. We have developed a model which provides insight into the process of vaporizing mixed precursors to produce high quality thin films of Y1Ba2Cu3O7. It shows that under steady state conditions the mixed organometallic vapor must have a stoichiometric ratio of the individual organometallics identical to that in the solid mixture.

Levy, Moises↗

Angular dependence of critical current density and magnetoresistance of sputtered high-T(sub c)-films

The angular dependence of the critical current density and the magnetoresistance of high-T(sub c)-films in high and low magnetic fields and for different temperatures were measured to investigate the flux pinning and the superconducting properties. A comparison of the results for the different superconductors shows their increasing dependence on the angle Theta between the magnetic field and the c-axis of the film due to the anisotropy of the chosen superconductor. Furthermore the influence of the current direction to the Theta-rotation plane is discussed.

Geerkens, A.↗