Critical Temperature Research Articles

Crystal structure graph neural networks for high-performance superconducting critical temperature prediction

Crystal structure graph neural networks for high-performance superconducting critical temperature prediction

Experimental investigations on the thermal destabilization and performance enhancement of ventilation air methane in a reversed flow oxidation reactor

Proper mitigation and utilization of coal mine ventilation air methane (VAM) are important to alleviate resource shortage and environmental issues. This work presents a pilot-scale experimental analysis of heat storage and oxidation performance in a VAM-fuelled reversal flow reactor, aiming at elucidating the thermal destabilization behaviour and providing feasible ways to maintain the system stability. Experimental results show that the system could become unstable under variable conditions. When the methane concentration is varied from 0.74 % to 0.70 %, the temperature is gradually becoming steady after operating the system for 5160 s. However, this balance will be broken, and the combustor is extinguished if the methane concentration is decreased from 0.68 % to 0.64 %. A critical average temperature of 780 °C in the combustion chamber is identified, below which the system starts to become unstable. Further analysis reveals the importance of heat-releasing proportion from the regenerator to the fresh gases in determining the system performance with the methane concentration varied. A sufficiently low proportion implies that the fresh gases cannot be properly preheated when entering the combustion chamber. Finally, increasing ventilation gas flow rate and reducing switching time are shown to be effective in promoting the oxidation process due to the enhanced heat storage.

Development of Advanced Solid-State Thermochromic Materials for Responsive Smart Window Applications.

This study introduces the synthesis and detailed characterization of a novel thermochromic material capable of reversible alterations in its thermotropic transmittance. Through an emulsion polymerization process, this newly developed material is composed of 75-85% octadecyl acrylate and 0-7% allyl methacrylate, demonstrating a pronounced discoloration effect across a narrow yet critical temperature range of 24.5-39 °C. The synthesized powder underwent a battery of tests, including differential scanning calorimetry and thermogravimetric analysis, as well as scanning electron microscopy. These comprehensive evaluations confirmed the material's exceptional thermal stability, uniform particle size distribution, and strong anchoring properties. Building upon these findings, we advanced the development of thermochromic polyvinyl butyral films and laminated glass products. By utilizing a coextrusion technique, we integrated these films into laminated glass, setting a new benchmark against existing glass technologies. Remarkably, the incorporation of thermochromic PVB films into laminated glass led to a significant reduction in solar irradiance of 20-30%, outperforming traditional double silver low-emissivity glass. This achievement demonstrates the exceptional shading and thermal insulation properties of the material. The research presented herein not only pioneers a valuable methodology for the engineering of smart materials with tunable thermotropic transmittance but also holds the key to unlocking enhanced energy efficiency across a spectrum of applications. The potential impact of this innovation on the realm of sustainable building materials is profound, promising significant strides toward energy conservation and environmental stewardship.

Exploring superconductivity, supercapacitance and thermoelectric properties of NbCr[formula omitted] and its alloys with Li and Mg: A first-principles Investigation

In the present study, the superconductivity, supercapacitance, and thermoelectric properties of the NbCr2 and its alloys with Li and Mg (with alloy composition of x=0.5 in replacement with Cr atoms) have been surveyed using density functional theory. The mechanical, thermodynamic, and dynamic stability of the pure and alloy compositions have been checked by the results of the cohesive energy, enthalpy of formation energy, and phonon density of states. Moreover, the largest value of the critical temperature (Tc) which has been achieved belongs to the pure NbCr2 with a value of 13.76 K. In addition, the largest values of Tc for Li and Mg alloys are 11.83 and 3.42 K, respectively. Furthermore, the largest peak of the quantum capacitance at room temperature and as a function of the applied voltage is also related to the pure NbCr2 with a value of 676.77 μF/cm2 at the voltage of −1.86 V. In addition, the largest value of the surface charge storage occurred at the negative bias of −1.88 V with a value of −1261.27 μC/cm2. For thermoelectric properties, the largest peak of the thermoelectric power factor per relaxation time as a function of chemical potential and at room temperature belongs to Li alloy with a value 20.03 × 1016μW/(m K2 s) at the negative chemical potentials of −0.73 eV. The largest value of electronic thermal conductivity per relaxation time belongs the Li alloy at 500 K with a value of 48.71 × 1014 W/(m K s) and the largest value of lattice thermal conductivity is also related to Li alloy with the value of 22.8 W/(m K) at 100 K. All of these results represent the materials which not only have the superconductivity property but also supercapacitance and thermoelectric properties that could be useful as electrode materials in the energy storage industries.

PH and Temperature-Responsive Silk Sericin/N-Isopropyl Acrylamide Interpenetrating Network Gel and Viscose Non-Woven Cross-Linked Composite Dressing

A gel (SNA-Ag) loaded with nanoscale silver particles and a pH-responsive agent was prepared using N-isopropyl acrylamide (NIPAAm) as the first network structure, silk sericin (SS) as the second network structure and reducing agent, alizarin as the pH indicator and co-reducing agent, N, N-methylene bisacrylamide (BIS) as the crosslinking agent, ammonium persulfate (APS) as the initiator and N, N, N, N-tetramethylethylenediamine (TEMED) as co-initiator. To improve the breaking strength of the gel, the temperature and pH-responsive antibacterial (V/SNA-Ag) composite dressing was prepared by crosslinking the SNA-Ag gel with viscose non-woven fabric using glutaraldehyde as the crosslinking agent. Fourier transform infrared spectrometer (FTIR) and scanning electron microscopy (SEM) showed that the SNA-Ag hydrogel was successfully crosslinked with the viscose non-woven fabric. Meanwhile, a gel coating was formed on the fabric, and the coating thickness increased when the crosslinking time was extended. Differential Scanning Calorimetry (DSC) and pH response tests confirmed that the dressing was temperature sensitive, and the Lower Critical Solution Temperature (LCST) of the dressing was about 35 °C. When the pH of the dressing was changed from acidic to alkaline, its color was changed from yellow to purple, indicating that its color presented pH response characteristics. The dressing not only had excellent swelling performance but also had outstanding antibacterial activity; the antibacterial degree for Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) was up to 99%. A cytotoxicity test suggested that the survival degree of mouse cells after incubation for 96 h was more than 75%, proving that it was safe and nontoxic. In addition, compared with viscose non-woven fabric, the breaking strength of composite dressing was increased, and the air permeability was decreased. In conclusion, we suggest that V/SNA-Ag composite dressings have great potential for monitoring and treating wounds.

Fire performance of superabsorbent polymers protected full-scale cold-formed steel wall lined with plasterboards

Superabsorbent polymers (SAPs) have shown promise in enhancing the fire resistance of steel structures because of their exceptional absorbency and water retention capabilities. This study innovatively applies SAP insulation to cold-formed steel (CFS) walls with gypsum (GP) boards to improve fire performance. One full-scale CFS wall underwent axial compression testing at ambient temperature, and four full-scale fire experiments were conducted on CFS walls with load ratios of 0.27 and 0.85. All specimens were sheathed with double layers of GP boards, and rock wool served as the cavity insulation, with SAP insulation material applied to the cavity of wall studs. Additionally, a novel finite element model was developed to simulate the fluid-heat interaction within a furnace-CFS wall. The simulation results showed that SAP insulation material significantly changes the fire-induced failure mode in wall studs at a 0.27 load ratio, transitioning from hot flange (HF) local buckling to local buckling of the whole stud section. The inclusion of SAP insulation material absorbs heat, effectively delaying the rise in wall stud temperature. This property significantly enhances the structural performance of CFS walls during fire exposure. With SAP insulation material, the fire resistance time of the CFS walls increased by over 66 min compared to non-SAP insulation material counterparts. Moreover, increasing the stud web depth and reducing the HF width-to-thickness ratio can enhance the fire performance of CFS walls. The HF critical failure temperature of specimen S2 with an HF width-to-thickness ratio of 80 was 783 °C, 150 °C higher than that of specimen P2 with an HF width-to-thickness ratio of 67. Additionally, the adverse effect of screws on the fire performance of the CFS wall was localized. After 120 min of fire exposure, the temperature on the ambient side, which was severely influenced by the screws, was 360 to 370 °C.

Analysis of Structural Changes of pH-Thermo-Responsive Nanoparticles in Polymeric Hydrogels.

The pH- and thermo-responsive behavior of polymeric hydrogels MC-co-MA have been studied in detail using dynamic light scattering DLS, scanning electron microscopy SEM, nuclear magnetic resonance (1H NMR) and rheology to evaluate the conformational changes, swelling-shrinkage, stability, the ability to flow and the diffusion process of nanoparticles at several temperatures. Furthermore, polymeric systems functionalized with acrylic acid MC and acrylamide MA were subjected to a titration process with a calcium chloride CaCl2 solution to analyze its effect on the average particle diameter Dz, polymer structure and the intra- and intermolecular interactions in order to provide a responsive polymer network that can be used as a possible nanocarrier for drug delivery with several benefits. The results confirmed that the structural changes in the sensitive hydrogels are highly dependent on the corresponding critical solution temperature CST of the carboxylic (-COOH) and amide (-CONH2) functional groups and the influence of calcium ions Ca2+ on the formation or breaking of hydrogen bonds, as well as the decrease in electrostatic repulsions generated between the polymer chains contributing to a particle agglomeration phenomenon. The temperature leads to a re-arrangement of the polymer chains, affecting the viscoelastic properties of the hydrogels. In addition, the diffusion coefficients D of nanoparticles were evaluated, showing a closeness among with the morphology, shape, size and temperature, resulting in slower diffusions for larger particles size and, conversely, the diffusion in the medium increasing as the polymer size is reduced. Therefore, the hydrogels exhibited a remarkable response to pH and temperature variations in the environment. During this research, the functionality and behavior of the polymeric nanoparticles were observed under different analysis conditions, which revealed notable structural changes and further demonstrated the nanoparticles promising high potential for drug delivery applications. Hence, these results have sparked significant interest in various scientific, industrial and technological fields.

Simulation of lithium-ion battery thermal runaway considering active material volume fraction effect

The multi-physics solver BatteryFOAM couples with the side reaction model for thermal runaway (TR) simulations, including the electrolyte decomposition (E) and solid electrolyte interface layer decomposition (SEI), and the reaction of the electrolyte with graphite intercalated lithium (NE-E) and the reaction of positive electrode active material with the electrolyte (PE-E). This solver is used to study the lithium-ion battery (LIB) TR at different conditions. The published experimental results are used to validate the effectiveness and practicability of BatteryFOAM in predicting the temperature under constat high temperature. We also discuss the reactant concentration, reaction rate, and heat release rate during the LIB TR. The influences of the external factor of the equal equivalent heat transfer (h) on the battery TR is considered, and the sequence in which the battery reaches the critical temperature rising rate (RTR, 60 K/min) and the separator failure temperature (Tsep) is predicted. The results demonstrate that overall the exothermic reaction peaks arise sequentially from SEI decomposition, PE-E reaction, NE-E reaction, and electrolyte decomposition, and NE-E reaction has three exothermic peaks induced by other three side reactions. PE-E reaction contributes more heat for fuse energy to trigger TR, but the NE-E reaction and electrolyte decomposition mainly accounts for the runaway energy. In addition, increasing SEI and electrolyte decomposition intensity is found no effect on the TR temperature. Besides, the rapid reaching to RTR is caused by the high heat release rate of positive electrode active material with electrolyte. Results further show that reducing the fNE−E within 5.0 % will significantly reduce TR risk.

Polarized Raman mapping and phase-transition by CW excitation for fast purely optical characterization of VO2 thin films

Vanadium dioxide has attracted much interest due to the drastic change of the electrical and optical properties it exhibits during the transition from the semiconductor state to the metallic state, which takes place at a critical temperature of about 68 °C. Much study has been especially devoted to developing advanced fabrication methodologies to improve the performance of VO2 thin films for phase-change applications in optical devices. Films structural and morphological characterisation is normally performed with expensive and time consuming equipment, as x-ray diffractometers, electron microscopes and atomic force microscopes. Here we propose a purely optical approach which combines Polarized Raman Mapping and Phase-Transition by Continuous Wave Optical Excitation (PTCWE) to acquire through two simple measurements structural, morphological and thermal behaviour information on polycrystalline VO2 thin films. The combination of the two techniques allows to reconstruct a complete picture of the properties of the films in a fast and effective manner, and also to unveil an interesting stepped appearance of the hysteresis cycles probably induced by the progressive stabilization of rutile metallic domains embedded in the semiconducting monoclinic matrix.

Spin waves in ferrimagnets near the angular magnetization compensation temperature: A micromagnetic study

Spin wave propagation along a ferrimagnetic strip with out-of-plane magnetization is studied by means of micromagnetic simulations. The ferrimagnetic material is considered to be formed by two antiferromagnetically coupled sub-lattices. Two critical temperatures can be defined for such systems: that of magnetization compensation and that of angular momentum compensation, both different due to distinct Landé factors for each sub-lattice. Spin waves in the strip are excited by a spin current injected at one of its edges. The obtained dispersion diagrams show exchange-dominated forward volume spin waves. For a given excitation frequency, the Néel vector describes highly eccentric orbits, the eccentricity depending on temperature, whose semi-major axis is oriented differently at distinct locations on the FiM strip.

Fluctuation effects in superconducting nanowires under electric field

This study applies the time-dependent Ginzburg–Landau (TDGL) theory with thermal noise to analyze the thermoelectric and transport properties of superconducting Sn nanowires, focusing on the thermopower (αxx) and the phase transition characteristics in the S-shaped J-E curves. We observe significant contributions from superconducting Cooper pairs, which remain nonzero above the critical temperature (Tc), indicating residual superconductivity due to strong thermal fluctuations. The S-like shape in the J-E curves is attributed to a dynamical instability transition temperature (T∗) at approximately 2.9 K, where thermal fluctuations dominate. Furthermore, we compare the resistance in the linear response to experimental data for Sn nanowires both below and above Tc. Below Tc, the resistance sharply decreases, reflecting the robust superconducting state, while above Tc, it increases, aligning with normal state behavior. In nonlinear response case, our results indicate that high electric fields can be effectively used to suppress order-parameter fluctuations and the electrical conductivity in superconducting nanowires. The findings provide critical insights into the thermoelectric behavior and phase transitions in Sn nanowires, highlighting the importance of Cooper pair dynamics in shaping the transport properties of one-dimensional superconductors. This understanding is essential for the development of advanced nanoelectronic devices leveraging these unique superconducting properties.

Fabrication and properties of conductive films based on bacterial cellulose and poly-N-isopropylacrylamide-modified graphene oxide

A conductive film (PNIPAM-rGO/BC) was fabricated combining bacterial cellulose (BC) with poly-N-isopropylacrylamide-modified graphene oxide (PNIPAM-GO) through vacuum filtration and steam reduction techniques. The conductivity and performance of PNIPAM-GO composite and the resulting conductive film were studied. The key findings revealed that PNIPAM-GO composite exhibited a reversible temperature-sensitive behavior. Specifically, the lower critical solution temperature (LCST) increased upon the introduction of graphene oxide (GO). Detailed analyses confirmed uniform dispersion of GO nanosheets within the BC matrix. The incorporation of 10.0 % PNIPAM-GO (containing 7.0 % GO) led to a remarkable 19.6 % increase in tensile strength and approximately 37.0 % enhancement in elongation at break for the conductive film (PNIPAM-rGO/BC) compared to BC. After steam reduction, the electrical conductivity of PNIPAM-rGO/BC exhibited significant improvement over BC. Furthermore, the conductive film demonstrated temperature-dependent conductivity, with a resistivity value approximately 5.2 ± 0.2 KΩ at 25 °C. As the test temperature above the LCST of PNIPAM-GO composite, the resistance decreased. These intriguing temperature-sensitive conductive properties position PNIPAM-rGO/BC as a promising material for smart switches.

Poly(2-oxazoline)-Based Thermoresponsive Stomatocytes.

The design of biocompatible and biodegradable nanostructures with controlled morphological features remains a predominant challenge in medical research. Stimuli-responsive vesicles offer significant advantages in drug delivery, biomedical applications, and diagnostic techniques. The combination of poly(2-oxazoline)s with biodegradable polymers could provide exceptional biocompatibility properties and be proposed as a versatile platform for the development of new medicines. Therefore, poly(2-ethyl-2-oxazoline) (PEtOx) and poly(2-isopropyl-2-oxazoline) (PiPrOx) possessing a hydroxy terminal group that acts as an initiator for the ring-opening polymerization of d,l-lactide (DLLA) have been utilized in this study. The resulting amphiphilic block polymers were used to create polymersomes, which undergo solvent-dependent reorganization into bowl-shaped vesicles or stomatocytes. By blending PEtOx-b-PDLLA and PiPrOx-b-PDLLA copolymers, a thermoresponsive stomatocyte was generated, where the opening narrowed and irreversibly closed with a slight increase in the temperature. Detailed transmission electron microscopy analysis reveals the formation of both closed and fused stomatocytes upon heating the sample above the critical solution temperature of PiPrOx.

NIR-triggered and Thermoresponsive Core-shell nanoparticles for synergistic anticancer therapy

Recent advancements in cancer treatment have underscored the inadequacy of conventional monotherapies in addressing complex malignant tumors. Consequently, there is a growing interest in synergistic therapies capable of overcoming the limitations of monotherapies, leading to more personalized and effective approaches. Among these, the combination of photothermal therapy (PTT) and chemotherapy has emerged as a promising avenue for tumor management. In this study, we present a novel approach utilizing thermoresponsive mesoporous silica nanoparticles (MSN) as a delivery system for the chemotherapeutic drug doxorubicin. By incorporating photothermal agent copper sulfide (CuS) nanoparticles into the MSN, the resulting composite material exhibits potent photothermal properties. Furthermore, the integration of an upper critical solution temperature (UCST) polymer within the silica outer layer serves as a “gatekeeper”, enabling precise control over drug release kinetics. This innovative nanomaterial effectively merges thermoresponsive behavior with PTT, thereby minimizing the collateral damage associated with traditional chemotherapy on healthy tissues. Moreover, in both in vitro studies using mouse breast carcinoma cells (4 T1) and in vivo experiments utilizing a 4 T1 tumor-bearing mouse model, our nanomaterials demonstrated synergistic effects, enhancing the anti-tumor efficacy of combined PTT and chemotherapy. With its remarkable photothermal conversion efficiency, robust stability, and biocompatibility, the UCST-responsive nanoplatform holds immense potential for clinical applications.

Dynamics of soil water potential as a function of stand types in a temperate forest: Emphasis on flash droughts

In the context of a changing climate and the increasing occurrences of extreme events, including droughts, field evidence, and models suggest that cases of forest decline and migration of tree species to more suitable climates will augment in the 21st century. In northeastern North America, an expansion of American beech at the expense of maples has been observed since the 1970s and has been associated to several causes. Through an analysis of time series leveraging thousands of data collected in a temperate forest in southern Quebec, Canada, dynamics of soil water potential were analyzed in interaction with soil temperature, meteorological variables and forest types, including hardwoods (mostly maple) with a large presence of beech trees (hardwood-beech stands), hardwoods (maple and birch) and mixedwoods (maple and fir). During flash drought events with a net precipitation deficit and water stress, the presence of beech led to a decrease in soil temperature and favored the maintenance of low soil water potential and faster restoration of water reserves compared to mixedwoods. Using machine learning-based approaches, distinct critical soil temperature thresholds in regard to water potential were identified for the various forest types, and the temporality in soil water regime changes was more favorable under hardwood-beech stands. The presence of beech appears to render greater resilience in regard to water stress in this forest. A greater capacity of beech to preserve and restore soil water not only offers an additional explanation for its establishment in hardwoods in the last decades, but greater water conservation in the presence of beech, assuming it remains in the landscape, could also help local plant species adapt to climate change and to the predicted increased water deficits, as well as species migrating northward to find more suitable environmental envelopes.

Nanometer-thick molecular beam epitaxy Al films capped with in situ deposited Al2O3—High-crystallinity, morphology, and superconductivity

Achieving high material perfection in aluminum (Al) films and their associated Al/AlOx heterostructures is essential for enhancing the coherence time in superconducting quantum circuits. We grew Al films with thicknesses ranging from 3 to 30 nanometers (nm) epitaxially on sapphire substrates using molecular beam epitaxy (MBE). An integral aspect of our work involved electron-beam (e-beam) evaporation to directly deposit aluminum oxide (Al2O3) films on the freshly grown ultrathin epitaxial Al films in an ultra-high-vacuum (UHV) environment. This in situ oxide deposition is critical for preventing the oxidation of parts of the Al films, avoiding the formation of undesired native oxides, and thereby preserving the nm-thick Al films in their pristine conditions. The thicknesses of our Al films in the study were accurately determined; for example, coherence lengths of 3.0 and 20.2 nm were measured in the nominal 3.0 and 20 nm thick Al films, respectively. These Al films were epitaxially grown on sapphire substrates, showing an orientational relationship, denoted as Al(111)⟨21¯1¯⟩∥sapphire(0001)[21¯1¯0]. The Al/sapphire interface was atomically ordered without any interfacial layers, as confirmed by in situ reflection high-energy electron diffraction (RHEED) and cross-sectional scanning transmission electron microscopy (STEM). All sample surfaces exhibited smoothness with a roughness in the range of 0.1–0.2 nm. The Al films are superconducting with critical temperatures ranging from 1.23 to around 2 K, depending on the film thickness.

Magnetic properties of polycrystalline bulk crystals of MnGeP2

Room temperature ferromagnetism observed in polycrystalline MnGeP2 bulk samples was investigated by different experimental techniques. The magnetization measurements show a high temperature ferromagnetic phase with a critical temperature TC = 294.0 K and a low temperature magnetic phase transition at TN = 40.5 K. As these parameters (TC,TN) correspond to those of MnP, a ferromagnetic half-metal, whose composition of the samples was further characterized by x-ray diffraction and Rutherford backscattering measurements. They confirmed the presence of orthorhombic MnP precipitates. Electron paramagnetic resonance (EPR) and ferromagnetic resonance (FMR) measurements in the temperature range of T = 4 K to T = 380 K confirm the attribution of the magnetic phase to MnP and show no additional EPR or FMR signal associated with MnGeP2. We conclude that the magnetic properties of the polycrystalline MnGeP2 bulk samples grown by the horizontal gradient freeze technique are dominated by MnP inclusions and that phase pure chalcopyrite MnGeP2 is not ferromagnetic in contrary to previous reports.

Thermodynamically consistent phase field model for liquid-gas phase transition with soluble surfactant

Despite the enormous potential in facilitating natural development and migration of interfaces during multiphase simulation, the phase-field method remains restricted to low-density ratios, owing to inherent thermodynamic inconsistency, especially for multiphase flow systems with surfactants. The present paper first constructs a liquid-vapor phase transition phase-field model with soluble surfactants using the second law of thermodynamics as the original model. Then, a simplified liquid-vapor phase transition model with soluble surfactants that satisfies thermodynamic consistency is proposed to simulate pool boiling at higher-density ratio. A novel numerical algorithm for the simplified model that satisfies semi-discrete thermodynamic consistency is also developed. Compared with the original model, the thermodynamically consistent characteristics of the simplified numerical model proposed in this paper can significantly reduce the spurious velocity on the interface of a static droplet and thus enable the numerical model to simulate liquid-vapor transition at higher liquid/vapor density ratios. Vapor-liquid coexistence, Laplace's law, and multiple bubble coalescence are used to validate the accuracies and effectiveness of the mathematical model and numerical algorithm. The liquid/vapor density ratio can reach 6776:1 under saturation temperature 0.3Tc (Tc is the critical temperature). The approach is then used to model pool boiling at a low saturation temperature (0.5Tc) with and without soluble surfactants, significantly lower than reported in comparable literature. The results demonstrate that surfactants significantly influence the dynamics of bubbles, and a critical concentration can be identified. In addition, soluble surfactants can also suppress coalescence between adjacent bubbles and prevent the formation of larger bubbles during pool boiling.

Structural and Electronic Properties of the Magnetic and Nonmagnetic X0.125Mg0.875B2 (X = Nb, Ni, Fe) Materials: A DFT/HSE06 Approach to Investigate Superconductor Behavior.

MgB2 material has a simple composition and structure that is well-reported and characterized. This material has been widely studied and applied in the last 20 years as a superconductor in wire devices and storage material for H in the hydride form. MgB2 doped with transition metals improves the superconductor behavior, such as the critical temperature (T cs) or critical current (J sc) for the superconducting state. The results obtained in this manuscript indicate that Nb-, Fe-, and Ni-doping in the Mg site leads to a contraction of the unit cell through the spin polarization on the electronic resonance of the boron layer. Fe and Ni transition metals doping perturb the electronic resonance because of stronger dopant-boron bonds. The unpaired electrons are transferred from 3d orbitals to the empty 2p z orbitals of the boron atoms, locating α electrons in the σ bonds and β electrons in the π orbitals. The observed influence of magnetic dopants on MgB2 enables the proposal of an electronic mechanism to explain the spin polarization of boron hexagonal rings.

Correlation between optical phonon softening and superconducting Tc in YBa2Cu3Ox within d-wave Eliashberg theory

Abstract We provide a mathematical description, based on d-wave Eliashberg theory, of the strong correlation between the experimentally observed softening of Raman modes associated with in-plane oxygen motions and the corresponding superconducting critical temperature T c , as a function of oxygen doping x, in YBa2Cu3O x . The theoretical model provides a direct link between physical trends of soft optical Ag (in-plane) oxygen modes, the level of oxygen doping x, and the superconducting T c . Different regimes observed in the trend of T c vs doping can be related to corresponding regimes of optical phonon softening in the Raman spectra. These results provide further evidence related to the physical origin of high-temperature superconductivity in rare-earth cuprate oxides and to the significant role of electron–phonon coupling therein.