Mechanism Of Superconductivity Research Articles

Charge ordering as the driving mechanism for superconductivity in rare-earth nickel oxides

Charge ordering as the driving mechanism for superconductivity in rare-earth nickel oxides

Cuprate-like Electronic Structures in Infinite-Layer Nickelates with Substantial Hole Dopings

Abstract The superconducting infinite-layer (IL) nickelates offer a new platform for investigating the long-standing problem of high-temperature superconductivity. Many models were proposed to understand its superconducting mechanisms based on the calculated electronic structure, and the multiple Fermi surfaces and multiple orbitals involved create complications and controversial conclusions. Over the past 5 years, the lack of direct measurements of the electronic structure has hindered the understanding of nickelate superconductors. Here we fill this gap by directly resolving the electronic structures of the parent compound LaNiO2 and superconducting La0.8Ca0.2NiO2 using angle-resolved photoemission spectroscopy (ARPES). We find that their Fermi surfaces consist of a quasi-two-dimensional (quasi-2D) hole pocket and a three-dimensional (3D) electron pocket at the Brillouin zone corner, whose volumes change upon Ca doping. The Fermi surface topology and band dispersion of the hole pocket closely resemble those observed in hole-doped cuprates. However, the cuprate-like band exhibits significantly higher hole doping in superconducting La0.8Ca0.2NiO2 compared to superconducting cuprates, highlighting the disparities in the electronic states of the superconducting phase. Our observations highlight the novel aspects of the IL nickelates, and pave the way toward the microscopic understanding of the IL nickelate family and its superconductivity.

Superconductivity in Dilute Hydrides of Ammonia under Pressure.

The past decade has witnessed great progress in predicting and synthesizing polyhydrides that exhibit superconductivity under pressure. Dopants allow these compounds to become metals at pressures lower than those required to metallize elemental hydrogen. Here, we show that by combining the fundamental planetary building blocks of molecular hydrogen and ammonia, conventional superconducting compounds can be formed at high pressure. Through extensive theoretical calculations, we predict metallic metastable structures with NHn (n = 10, 11, 24) stoichiometries that are based on NH4+ superalkali cations and complex hydrogenic lattices. The hydrogen atoms in the molecular cation contribute to the superconducting mechanism, and the estimated superconducting critical temperatures, Tc's, are comparable to the highest values computed for the alkali metal polyhydrides. The largest calculated (isotropic Eliashberg) Tc is ∼180 K for Pnma-NH10 at 300 GPa. Our results suggest that other molecular cations can be mixed with hydrogen under pressure, yielding superconducting compounds.

ARPES detection of superconducting gap sign in unconventional superconductors

The superconducting gap symmetry is crucial in understanding the underlying superconductivity mechanism. Angle-resolved photoemission spectroscopy (ARPES) has played a key role in determining the gap symmetry in unconventional superconductors. However, it has been considered so far that ARPES can only measure the magnitude of the superconducting gap but not its phase; the phase has to be detected by other phase-sensitive techniques. Here we propose a method to directly detect the superconducting gap sign by ARPES. This method is successfully validated in a cuprate superconductor Bi2Sr2CaCu2O8+δ with a well-known d-wave gap symmetry. When two bands have a strong interband interaction, the resulted electronic structures in the superconducting state are sensitive to the relative gap sign between the two bands. Our present work provides an approach to detect the gap sign and can be applied to various superconductors, particularly those with multiple orbitals like the iron-based superconductors.

Twofold symmetry of the in-plane resistance in kagome superconductor Cs(V1-x Ta x )3Sb5 with enhanced superconductivity

Abstract The kagome superconductor CsV3Sb5 has attracted widespread attention due to its rich correlated electron states including superconductivity, charge density wave (CDW), nematicity, and pair density wave. Notably, the modulation of the intertwined electron orders by the chemical doping is significant to illuminate the cooperation/competition between multiple phases in kagome superconductors. In this study, we have synthesized a series of tantalum-substituted Cs(V1-x Ta x )3Sb5 by a modified self-flux method. Electrical transport measurements reveal that CDW is suppressed gradually and becomes undetectable as the doping content of x over 0.07. Concurrently, the superconductivity is enhanced monotonically from T c ~ 2.8 K at x = 0.00 to 5.2 K at x = 0.12. Intriguingly, in the absence of CDW, Cs(V1-x Ta x )3Sb5 (x = 0.12) crystals exhibit a pronounced twofold symmetry of the in-plane angular-dependent magnetoresistance (AMR) in the superconducting state, indicating the anisotropic superconducting properties in the Cs(V1-x Ta x )3Sb5. Our findings demonstrate that Cs(V1-x Ta x )3Sb5 with the non-trivial band topology is an excellent platform to explore the superconductivity mechanism and intertwined electronic orders in quantum materials.

Spin-charge-lattice couplings and Co doping effect in Ba(Fe 1−x Co x )2As2: an ab initio molecular dynamics study

As one of the typical iron-based superconductors, Ba(Fe 1−x Co x )2As2 exhibits a dome-like evolution of superconducting transition temperature T c with the Co doping (x), which provides an ideal platform to explore the mechanism of unconventional superconductivity. Through ab initio molecular dynamics (AIMD) studies, we find that the spin, charge, and lattice degrees of freedom in Ba(Fe 1−x Co x )2As2 are intimately coupled with a characteristic frequency around 5.5 THz, which originates from the A1g phonon mode of the As atoms. Compared with the undoped BaFe2As2, the spin dynamics in Ba(Fe 1−x Co x )2As2 (x = 0.0625, 0.1250, 0.1875) shows enhanced spatial inhomogeneities, though the features of the charge dynamics are rarely modified. Along with the increasing Co doping, the spatial inhomogeneities of Fe spin dynamics display nonmonotonic changes, meanwhile the lattice vibrational spectra first show peak broadening and then restore the main peak around 5.5 THz, being both consistent with the nonmonotonic behavior of superconducting T c. Our study provides a molecular dynamics approach to investigate the couplings of spin, charge, and lattice in doped BaFe2As2, which could also be applied to explore the dome-like evolution of superconductivity in other Fe-based superconductors.

Directly imaging spin polarons in a kinetically frustrated Hubbard system.

The emergence of quasiparticles in quantum many-body systems underlies the rich phenomenology in many strongly interacting materials. In the context of doped Mott insulators, magnetic polarons are quasiparticles that usually arise from an interplay between the kinetic energy of doped charge carriers and superexchange spin interactions1-8. However, in kinetically frustrated lattices, itinerant spin polarons-bound states of a dopant and a spin flip-have been theoretically predicted even in the absence of superexchange coupling9-14. Despite their important role in the theory of kinetic magnetism, a microscopic observation of these polarons is lacking. Here we directly image itinerant spin polarons in a triangular-lattice Hubbard system realized with ultracold atoms, revealing enhanced antiferromagnetic correlations in the local environment of a hole dopant. In contrast, around a charge dopant, we find ferromagnetic correlations, a manifestation of the elusive Nagaoka effect15,16. We study the evolution of these correlations with interactions and doping, and use higher-order correlation functions to further elucidate the relative contributions of superexchange and kinetic mechanisms. The robustness of itinerant spin polarons at high temperature paves the way for exploring potential mechanisms for hole pairing and superconductivity in frustrated systems10,11. Furthermore, our work provides microscopic insights into related phenomena in triangular-lattice moiré materials17-20.

Structural transitions, octahedral rotations, and electronic properties of A3Ni2O7 rare-earth nickelates under high pressure

Motivated by the recent observation of superconductivity with Tc ~ 80 K in pressurized La3Ni2O71, we explore the structural and electronic properties of A3Ni2O7 bilayer nickelates (A = La-Lu, Y, Sc) as a function of pressure (0–150 GPa) from first principles including a Coulomb repulsion term. At ~ 20 GPa, we observe an orthorhombic-to-tetragonal transition in La3Ni2O7 at variance with x-ray diffraction data, which points to so-far unresolved complexities at the onset of superconductivity, e.g., charge doping by variations in the oxygen stoichiometry. We compile a structural phase diagram that establishes chemical and external pressure as distinct and counteracting control parameters. We find unexpected correlations between Tc and the in-plane Ni-O-Ni bond angles for La3Ni2O7. Moreover, two structural phases with significant c+ octahedral rotations and in-plane bond disproportionations are uncovered for A = Nd-Lu, Y, Sc that exhibit a pressure-driven electronic reconstruction in the Ni eg manifold. By disentangling the involvement of basal versus apical oxygen states at the Fermi surface, we identify Tb3Ni2O7 as an interesting candidate for superconductivity at ambient pressure. These results suggest a profound tunability of the structural and electronic phases in this novel materials class and are key for a fundamental understanding of the superconductivity mechanism.

Comparative Studies of Phonon Frequency Spectrum of HTSCs GdBa2Cu3O7 and SmBa2Cu3O7 Through Normal Co-Ordinate Analysis

The prime application of Nano technology is High temperature superconductor. The Raman spectroscopy of HTSC explains that the role played by the phonons in the mechanism of superconductivity in the perovskite family of superconductors is not fully understood although a large series of experimental results has shown considerable coupling of some phonons to electronic excitation in these systems. Optical spectroscopy and especially Raman and Infrared spectroscopy revealed strong direct influences of the changes in the electronic states to the phonon at the center of the Brillouin. However, it is indispensable to have a precise knowledge of the zone –boundary phonons to investigate the contribution of electron-phonon coupling to Tc which can be achieved by neutron scattering techniques. The most commonly employed model is the valence force field model for computing phonon frequencies based on stretching bond and bending bond coordinates. Such models have the advantage of being well adopted to describe a covalent bonding but ignored the long–range Coulomb forces and wave vector dependence of the phonon spectrum. Even though a fairly good amount of literature is available on the vibrational spectra of high temperature superconductors, still some specific feature in the experimental vibration spectra could not be assigned reliable to a definite type of vibration. Hence a normal coordinate analysis (NCA) which is applicable to zero wave-vector normal-mode vibrations have been carried out for the high temperature superconductors and the assignment of specific features like phonon softening and hardening were looked in for the clear understanding of the superconducting mechanism in these new class materials. In the normal coordinate analysis, PED play an important role for characterization of the relative contributions from each internal coordinate to the total potential energy associated with particular normal coordinate of the molecule. The contribution to the potential energy from the individual diagonal elements give rise to a conceptual link between the empirical analysis of infrared spectra of complex molecules dealing with characteristic group frequencies and the theoretical approach from the computation of the normal modes. NCA gives complete assessment of all normal vibration modes of the system.

Chemical bonding dictates drastic critical temperature difference in two seemingly identical superconductors

Though YB6 and LaB6 share the same crystal structure, atomic valence electron configuration, and phonon modes, they exhibit drastically different phonon-mediated superconductivity. YB6 superconducts below 8.4 K, giving it the second-highest critical temperature of known borides, second only to MgB2. LaB6 does not superconduct until near-absolute zero temperatures (below 0.45 K), however. Though previous studies have quantified the canonical superconductivity descriptors of YB6's greater Fermi-level (Ef) density of states and higher electron-phonon coupling (EPC), the root of this difference has not been assessed with full detail of the electronic structure. Through chemical bonding, we determine low-lying, unoccupied 4f atomic orbitals in lanthanum to be the key difference between these superconductors. These orbitals, which are not accessible in YB6, hybridize with π B-B bonds and bring this π-system lower in energy than the σ B-B bonds otherwise at Ef. This inversion of bands is crucial: the optical phonon modes we show responsible for superconductivity cause the σ-orbitals of YB6 to change drastically in overlap, but couple weakly to the π-orbitals of LaB6. These phonons in YB6 even access a crossing of electronic states, indicating strong EPC. No such crossing in LaB6 is observed. Finally, a supercell (the M k-point) is shown to undergo Peierls-like effects in YB6, introducing additional EPC from both softened acoustic phonons and the same electron-coupled optical modes as in the unit cell. Overall, we find that LaB6 and YB6 have fundamentally different mechanisms of superconductivity, despite their otherwise near-identity.

Planckian behavior of cuprates at the pseudogap critical point simulated via flat electron-boson spectral density

Planckian behavior has been recently observed in La1·76Sr0·24CuO4 at the pseudogap critical point. The Planckian behavior takes place in an intriguing quantum metallic state at a quantum critical point. Here, the Planckian behavior was simulated with an energy-independent (or flat) and weakly temperature-dependent electron-boson spectral density (EBSD) function by using a generalized Allen's (Shulga's) formula. We obtained various optical quantities from the flat EBSD function, such as the optical scattering rate, the optical effective mass, and the optical conductivity. These quantities are well fitted with the recently observed Planckian behavior. Fermi-liquid behavior was also simulated with an energy-linear and temperature-independent EBSD function. The EBSD functions agree well with the overall doping- and temperature-dependent trends of the EBSD function obtained from the optically measured spectra of cuprate systems, which can be crucial for understanding the microscopic electron-pairing mechanism for high-Tc superconductivity in cuprates.

Berry curvature and quantum metric in copper-substituted lead phosphate apatite

The recent discovery of copper-substituted lead phosphate apatite, also known as LK-99, has caught much attention owing to certain experimental evidence of room-temperature superconductivity, although this claim is currently under intensive debate. Be it superconducting or not, we show that the normal state of this material has peculiar quantum geometrical properties that may be related to the magnetism and the mechanism for flat band superconductivity. Based on a recently proposed spinless two-band tight-binding model for the Pb–Cu hexagonal lattice subset of the crystalline structure, which qualitatively captures the two flat bands in the band structure, we elaborate the highly anisotropic Berry curvature and quantum metric in the regions of Brillouin zone where one flat band is above and the other below the Fermi surface. In these regions, the Berry curvature has a pattern in the planar momentum that remains unchanged along the out-of-plane momentum. Moreover, the net orbital magnetization contributed from the Berry curvature is zero, signifying that the magnetism in this material should come from other sources. The quantum metric has a similar momentum dependence, and its two planar components are found to be roughly the same but the out-of-plane component vanishes, hinting that the superfluid stiffness of the flat band superconductivity, shall it occur, may be quite anisotropic.

Theory of resonantly enhanced photo-induced superconductivity

Optical driving of materials has emerged as a versatile tool to control their properties, with photo-induced superconductivity being among the most fascinating examples. In this work, we show that light or lattice vibrations coupled to an electronic interband transition naturally give rise to electron-electron attraction that may be enhanced when the underlying boson is driven into a non-thermal state. We find this phenomenon to be resonantly amplified when tuning the boson’s frequency close to the energy difference between the two electronic bands. This result offers a simple microscopic mechanism for photo-induced superconductivity and provides a recipe for designing new platforms in which light-induced superconductivity can be realized. We discuss two-dimensional heterostructures as a potential test ground for light-induced superconductivity concretely proposing a setup consisting of a graphene-hBN-SrTiO3 heterostructure, for which we estimate a superconducting Tc that may be achieved upon driving the system.

Comparative Studies Between Lattice Dynamical Study and Normal Coordinate Analysis of HTSC EuBa2Cu3O6

It is generally believed, that is needed to sign post the way to the development of materials with high critical temperature, even to room temperature and above, is the formulation of a proper theoretical understanding of superconductivity in these materials. Many experimental studies suggest an intimate relationship between phonons, and the superconducting transition in the high Tc oxides.For example, Raman frequencies and line widths, elastic constants and thermal conductivity all show changes around Tc. Nevertheless, there is not a well- developed theory to explain how the phonons are related to Tc.. In conventional superconductors, the role of phonons is well established. However, in high Tc superconductors, the role played by phonons is controversial. Even if they do not mediate the pairing mechanism, they are likely to play an important subsidiary role. Hence there is much interest in the phonon structure of these materials. The normal state and superconducting properties are believed to arise from the strongly correlated motion of the electronic charge carries (electrons or holes) in the CuO2 planes that essentially define the layered cuprate HTSC. The other cations and oxygen atom in the structure provides structural stability and control the number of charge carries in the CuO2 planes. The Raman spectroscopy of HTSC explains that the role played by the phonons in the mechanism of superconductivity in the perovskite family of superconductors is not fully understood although a large series of experimental results has shown considerable coupling of some phonons to electronic excitation in these systems. Optical spectroscopy and especially Raman and Infrared spectroscopy revealed strong direct influences of the changes in the electronic states to the phonon at the center of the Brillouin.

Robust T c in element molybdenum up to 160 GPa

Element superconductors with the single atoms provide clean and fundamental platforms for studying superconductivity. Although elements with d electrons are usually not favored by conventional BCS, the record superconducting critical temperature (T c) in element scandium (Sc) has further ignited the intensive attention on transition metals. The element molybdenum (Mo) with a half-full d-orbital is studied in our work, which fills the gap in the study of Mo under high pressure and investigates the pressure dependence of superconductivity. In this work, we exhibit a robust superconductivity of Mo in the pressure range of 5 GPa to 160 GPa via high-pressure electrical transport measurements, the T c varies at a rate of 0.013 K/GPa to 8.56 K at 160 GPa. Moreover, the superconductivity is evidenced by the T c shifting to lower temperature under applied magnetic fields, and the upper critical magnetic fields are extrapolated by the WHH equation and GL equation; the results indicate that the maximum upper critical magnetic field is estimated to be 8.24 T at 137 GPa. We further investigate the superconducting mechanism of Mo, the theoretical calculations indicate that the superconductivity can be attributed to the strong coupling between the electrons from the partially filled d band and the phonons from the frequency zone of 200–400 cm−1.

Solid-state high harmonic spectroscopy for all-optical band structure probing of high-pressure quantum states

High pressure has triggered various novel states/properties in condensed matter, as the most representative and dramatic example being near-room-temperature superconductivity in highly pressured hydrides (~200 GPa). However, the mechanism of superconductivity is not confirmed, due to the lacking of effective approach to probe the electronic band structure under such high pressures. Here, we theoretically propose that the band structure and electron-phonon coupling (EPC) of high-pressure quantum states can be probed by solid-state high harmonic generation (sHHG). This strategy is investigated in high-pressure Im-3m H3S by the state-of-the-art first-principles time-dependent density-functional theory simulations, where the sHHG is revealed to be strongly dependent on the electronic structures and EPC. The dispersion of multiple bands near the Fermi level is effectively retrieved along different momentum directions. Our study provides unique insights into the potential all-optical route for band structure and EPC probing of high-pressure quantum states, which is expected to be helpful for the experimental exploration of high-pressure superconductivity in the future.

A new Ni-based superconductor with tunable critical temperature

The search for new 3d transition metal superconductors, especially Ni-based superconductors, is of great significance for understanding the mechanism of high temperature superconductivity. Based on inorganic material database, we found a new superconductor Mo2NiB2 through structural design. The crystal structure of Mo2NiB2 was analyzed by synchrotron radiation, Mo2NiB2 is a superconductor with a quasi-one-dimensional structure and also a Ni-based superconductor with a new structure. We report that the Mo2NiB2 exhibits superconductivity of 4 K, which is a typical type Ⅱ superconductor, and the non-stoichiometric ratio of Ni sites can increase the superconducting critical temperature of Mo2NiB2.

Field-induced compensation of magnetic exchange as the possible origin of reentrant superconductivity in UTe2

The potential spin-triplet heavy-fermion superconductor UTe2 exhibits signatures of multiple distinct superconducting phases. For field aligned along the b axis, a metamagnetic transition occurs at μ0Hm ≈ 35 T. It is associated with magnetic fluctuations that may be beneficial for the field-reinforced superconductivity surviving up to Hm. Once the field is tilted away from the b towards the c axis, a reentrant superconducting phase emerges just above Hm. In order to better understand this remarkably field-resistant superconducting phase, we conducted magnetic-torque and magnetotransport measurements in pulsed magnetic fields. We determine the record-breaking upper critical field of μ0Hc2 ≈ 73 T and its evolution with angle. Furthermore, the normal-state Hall effect experiences a drastic suppression indicative of a reduced band polarization above Hm in the angular range around 30° caused by a partial compensation between the applied field and an exchange field. This promotes the Jaccarino-Peter effect as a likely mechanism for the reentrant superconductivity above Hm.

High-temperature superconductivity mechanism and an alternative theoretical model of Maxwell’s classical electromagnetism theory

In the 21st century, understanding the mechanism of high-temperature superconductivity has emerged as a pinnacle achievement in condensed matter physics, capturing the lifelong interest of numerous physicists. This paper endeavors to offer a theoretical elucidation for this mechanism, advancing the broader field of physics. Recognizing that high-temperature superconductivity is an aspect of condensed matter physics — underpinned by Maxwell’s classical electromagnetic theory — we turn to theoretical mechanics and field theory, which are foundational perspectives in the contemporary scientific era. By framing Maxwell’s classical electromagnetic theory within the context of theoretical mechanics and field theory, this paper not only sheds light on the mechanism of high-temperature superconductivity but also recasts Maxwell’s theory within a purer theoretical mechanics and field theory domain. This represents a paradigmatic shift and cognitive transformation in physics. Furthermore, leveraging this theoretical mechanics and field theory interpretation of electromagnetic phenomena, we discern that electromagnetic phenomena can be more aptly explained without resorting to the concepts of charges and electric fields, leading to a reinterpretation of Coulomb’s law. We propose that protons and electrons might exist as entities devoid of charge-specific attributes and negate the possibility of a strongly correlated particle system within them.

Iron Vacancy Tunable Superconductor-Insulator Transition in FeSe/SrTiO_{3} Monolayer.

The Fe_{4}Se_{5} with a sqrt[5]×sqrt[5] Fe vacancy order is suggested to be a Mott insulator and the parent state of bulk FeSe superconductor. The iron vacancy ordered state has been considered as a Mott insulator and the parent compound of bulk FeSe-based superconductors. However, for the superconducting FeSe/SrTiO_{3} monolayer (FeSe/STO) with an interface-enhanced high transition temperature (T_{c}), the electronic evolution from its Fe vacancy ordered parent phase to the superconducting state, has not been explored due to the challenge to realize an Fe vacancy order in the FeSe/STO monolayer, even though important to the understanding of superconductivity mechanism. In this study, we developed a new method to generate Fe vacancies within the FeSe/STO monolayer in a tunable fashion, with the assistance of atomic hydrogen. As a consequence, an insulating sqrt[5]×sqrt[5] Fe vacancy ordered monolayer is realized as the parent state. By using scanning tunneling microscopy and scanning tunneling spectroscopy, the spectral evolution from superconductivity to insulator is fully characterized. Surprisingly, a prominent spectral weight transfer occurs, thus implying a strong electron correlation effect. Moreover, the Fe vacancy induced insulating gap exhibits no Mott gap-like features. This work provides new insights in understanding the high-T_{c} superconductivity in FeSe/STO monolayer.