Variational Monte Carlo study of the nematic state in iron-pnictide superconductors with a five-orbital model

We perform a variational Monte Carlo study of the nematic state in iron-pnictide superconductors within a realistic five-orbital model. Our numerical results show that the nematic state, formed by introducing an anisotropic hopping order into the projected wave function, is not stable unless the off-site Coulomb interaction V exceeds a critical value. This demonstrates that V plays a key role in forming the nematic state in iron-pnictide superconductors. In the nematic state,the orbital order and the anisotropic spin correlations are consistent with the experimental observations. We argue that the experimentally observed anisotropic magnetic couplings and structural transition are associated with the nematic state and can be understood in a unified framework.

Generalized BCS Equations and the Iron-Pnictide Superconductors

A detailed quantitative study of the pnictide composite superconductor (CS) Ba0.6K0.4Fe2As2 is presented in the frame-work of the recently derived set of generalized BCS equations. Invoking multiple Debye temperatures to take into account anisotropy of the CS, we address the current experimental data on its Tc and the (not so clear-cut) gap-values via different theoretical scenarios that attempt to identify the ion species responsible for pairing in it. This is done with the aid of the Bogoliubov’s restriction on the BCS dimensionless electron-phonon coupling constant. Significantly, our study sheds light on the gaps which have recently been observed in different iron-pnictide CSs as nodes or line-nodes on the Fermi surface and have evinced considerable interest.

Evolution of Superconducting-Transition Temperature with Superfluid Density and Conductivity in Pressurized Cuprate Superconductors

What factors fundamentally determine the value of superconducting transition temperature Tc in high temperature superconductors has been the subject of intense debate.Following the establishment of an empirical law known as Homes'law,there is a growing consensus in the community that the Tc value of the cuprate superconductors is closely linked to the superfluid density(ρ_(s))of its ground state and the conductivity(σ)of its normal state.However,all the data supporting this empirical law(ρ_(s)=AσT_(c))have been obtained from the ambientpressure superconductors.In this study,we present the first high-pressure results about the connection of the quantities of ρ_(s) and σ with T_(c),through the studies on the Bi_(1.74)Pb_(0.38)Sr_(1.88)CuO_(6+δ)and Bi_(2)Sr_(2)CaCu_(2)O_(8+δ),in which the value of their high-pressure resistivity(ρ=1/σ)is achieved by adopting our newly established method,while the quantity ofρs is extracted using Homes'law.We highlight that the Tc values are strongly linked to the joint response factors of magnetic field and electric field,i.e.,ρ_(s) and σ,respectively,implying that the physics determining T_(c) is governed by the intrinsic electromagnetic fields of the system.

Design of high-temperature superconductors at moderate pressures by alloying AlH3 or GaH3

Since the discovery of hydride superconductors,a significant challenge has been to reduce the pressure required for their stabilization.In this context,we propose that alloying could be an effective strategy to achieve this.We focus on a series of alloyed hydrides with the AMH_(6)composition,which can be made via alloying A15 AH_(3)(A=Al or Ga)with M(M=a group IIIB or IVB metal),and study their behavior under pressure.Seven of them are predicted to maintain the A15-type structure,similar to AH_(3)under pressure,providing a platform for studying the effects of alloying on the stability and superconductivity of AH_(3).Among these,the A15-type phases of AlZrH_(6)and AlHfH_(6)are found to be thermodynamically stable in the pressure ranges of 40–150 and 30–181 GPa,respectively.Furthermore,they remain dynamically stable at even lower pressures,as low as 13 GPa for AlZrH_(6)and 6 GPa for AlHfH_(6).These pressures are significantly lower than that required for stabilizing A15 AlH3.Additionally,the introduction of Zr or Hf increases the electronic density of states at the Fermi level compared with AlH3.This enhancement leads to higher critical temperatures(Tc)of 75 and 76 K for AlZrH_(6)and AlHfH_(6)at 20 and 10 GPa,respectively.In the case of GaMH_(6)alloys,where M represents Sc,Ti,Zr,or Hf,these metals reinforce the stability of the A15-type structure and reduce the lowest thermodynamically stable pressure for GaH_(3) from 160 GPa to 116,95,80,and 85 GPa,respectively.Particularly noteworthy are the A15-type GaMH_(6)alloys,which remain dynamically stable at low pressures of 97,28,5,and 6 GPa,simultaneously exhibiting high Tc of 88,39,70,and 49 K at 100,35,10,and 10 GPa,respectively.Overall,these findings enrich the family of A15-type superconductors and provide insights for the future exploration of high-temperature hydride superconductors that can be stabilized at lower pressures.

High Harmonic Spectroscopy Retrieves Electronic Structure of High-pressure Superconductors

High pressure has revealed surprising physics and creates novel states in condensed matter.Exciting examples include near-roomtemperature superconductivity(T_(c)>200 K)in highlypressured hydrides such as H_(3)S and LaH_(10).

Customizing topological phases in the twisted bilayer superconductors with even-parity pairings

We investigate the topological properties of twisted bilayer superconductors with different even-parity pairings in each layer.In the presence of spin-orbit coupling,the Hamiltonian is mapped into an effective odd-parity superconductor.Based on this,we deduce the topological properties by examining the relative configuration between Fermi surface and Dirac pairing node.We show that mixed Rashba and Dresselhaus spin-orbit coupling and anisotropic hopping terms,which break the C_(4)symmetry of the Fermi surface,can induce first-order topological superconductors with non-zero bulk Chern number.This provides a versatile way to control the topological phases of bilayer superconductors by adjusting the twisted angle and chemical potential.We demonstrate our results using a typical twisted angle of 53.13°,at which the translation symmetry is restored and the Chern number and edge state are calculated using the Moir′e momentum.

Effect of thickness on magnetic properties of single domain GdBCO bulk superconductors

To study the influence of thickness on the magnetic properties of ReBCO(Re = Y, Gd, Sm, Nd, etc.) bulk superconductors, a single domain gadolinium barium copper oxide(GdBCO) bulk superconductor fabricated by the Re + 011 top seeded infiltration growth(Re + 011 TSIG) method was continuously sliced along the bottom to obtain samples of different thickness. The levitation force and attractive force of these samples were tested at 77 K in the zero-field-cooled(ZFC)state. It is found that as the sample thickness decreases, the levitation force decreases gradually whereas the attractive force increases. This is related to the varied ability to resist the penetration of magnetic field occasioned by varying sample thickness, which are deeply revealed by combining with the characteristics of the non-ideal type-II superconductor. Further,the levitation force exhibits a trend of slow initial change followed by rapid change, which may be attributed to the growth of the sample. Measurement of the trapped field shows that a similar distribution of trapped field at the top and bottom surfaces can be achieved by removing some materials from the bottom of the bulk. These results provide a reference for meeting the actual requirements of ReBCO bulks of different thicknesses and greatly contribute to practical designs and applications.

First-principles study of moderate phonon-mediated pairing in high-pressure monoclinic phase of BiS_(2)-based superconductors

Isotope effect on superconductive transition temperature(T_c)is an essential indicator to examine whether the mechanism of superconductors is conventional.Unconventional isotope effect of BiS_(2)-based superconductors has been previously reported in ambient-pressure tetragonal phase.However,to comprehensively ascertain the nature of superconductivity,the investigation of BiS_(2)-based system in high-pressure structure is highly desirable.In this work,we carried out the first-principles calculations of phonon spectra and superconductivity in high-pressure monoclinic phase of LaO_(0.5)F_(0.5)BiS_(2)with ^(32)S and ^(34)S,and observed that the corresponding isotope coefficient is 0.13≤α≤0.20.This value is much greater than that of BiS_(2)-based superconductors in ambient-pressure phase,but slightly smaller than that of conventional MgB_2.Taking into account the calculated T_(c) lower than experimental results,we finally conclude that the moderate phonon-mediated pairing plays a significant role in forming superconductivity of BiS_(2)-based system in high-pressure phase,moreover,the cooperative multiple paring interactions should also be considered.

Strong Anisotropic Order Parameters at All-Nitride Ferromagnet/Superconductor Interfaces

Proximity effects between superconductors and ferromagnets(SC/FM)hold paramount importance in comprehending the spin competition transpiring at their interfaces.This competition arises from the interplay between Cooper pairs and ferromagnetic exchange interactions.The proximity effects between transition metal nitrides(TMNs)are scarcely investigated due to the formidable challenges of fabricating high-quality SC/FM interfaces.We fabricated heterostructures comprising SC titanium nitride(TiN)and FM iron nitride(Fe_(3)N)with precise chemical compositions and atomically well-defined interfaces.The magnetoresistance of Fe_(3)N/TiN heterostructures shows a distinct magnetic anisotropy and strongly depends on the external perturbations.Moreover,the superconducting transition temperatureT_(C) and critical field of TiN experience notable suppression when proximity to Fe_(3)N.We observe the intriguing competition of interfacial spin orientations near𝑇T_(C)(∼1.25 K).These findings not only add a new materials system for investigating the interplay between superconductor and ferromagnets,but also potentially provide a building block for future research endeavors and applications in the realms of superconducting spintronic devices.

Two-fold symmetry of the in-plane resistance in kagome superconductor Cs(V_(1-x)Ta_(x))_(3)Sb_(5) with enhanced superconductivity

The kagome superconductor CsV_(3)Sb_(5) 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 electronic 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(V_(1-x)Ta_(x))_(3)Sb_(5) by a modified self-flux method. Electrical transport measurements reveal that CDW is suppressed gradually and becomes undetectable as the doping content of x is over 0.07. Concurrently, the superconductivity is enhanced monotonically from T_(c) ~ 2.8 K at x = 0 to 5.2 K at x = 0.12. Intriguingly, in the absence of CDW, Cs(V_(1-x)Ta_(x))_(3)Sb_(5)(x = 0.12) crystals exhibit a pronounced two-fold symmetry of the in-plane angular-dependent magnetoresistance(AMR) in the superconducting state, indicating the anisotropic superconducting properties in the Cs(V_(1-x)Ta_(x))_(3)Sb_(5). Our findings demonstrate that Cs(V_(1-x)Ta_(x))_(3)Sb_(5) with the non-trivial band topology is an excellent platform to explore the superconductivity mechanism and intertwined electronic orders in quantum materials.

Effect of the mixing of s-wave and chiral p-wave pairings on electrical shot noise properties of normal metal/superconductor tunnel junctions

We study theoretically the electrical shot noise properties of tunnel junctions between a normal metal and a superconductor with the mixture of singlet s-wave and chiral triplet p-wave pairing due to broken inversion symmetry. We investigate how the shot noise properties vary as the relative amplitude between the two parity components in the pairing potential is changed. It is demonstrated that some characteristics of the electrical shot noise properties of such tunnel junctions may depend sensitively on the relative amplitude between the two parity components in the pairing potential, and some significant changes may occur in the electrical shot noise properties when the relative amplitude between the two parity components is varied from the singlet s-wave pairing dominated regime to the chiral triplet p-wave pairing dominated regime. In the chiral triplet p-wave pairing dominated regime, the ratio of noise power to electric current is close to 2e both in the in-gap and in the out-gap region. In the singlet s-wave pairing dominated regime, the value of this ratio is close to 4e in the inner gap region but may reduce to about 2e in the outer gap region as the relative amplitude of the chiral triplet pairing component is increased. The variations of the differential shot noise with the bias voltage also exhibit some significantly different features in different regimes. Such different features can serve as useful diagnostic tools for the determination of the relative magnitude of the two parity components in the pairing potential.

Hole density dependent magnetic structure and anisotropy in Fe-pnictide superconductor

The competition between different magnetic structures in hole-doped Fe-pnicitides is explored based on an extended five-orbital Hubbard model including long-range Coulomb interactions.Our results show that the stabilized magnetic structure evolves with increasing hole doping level.Namely,the stripe antiferromagnetic phase dominates at zero doping,while magnetic structures with more antiferromagnetic linking numbers such as the staggered tetramer,staggered trimer,and staggered dimer phases become energetically favorable as the hole density increases.At a certain doping level,energy degeneracy of different magnetic structures appears,indicating strong magnetic frustration and magnetic fluctuations in the system.We suggest that the magnetic competition induced by the hole doping may explain the fast decrease of the Neel temperature TNand the moderately suppressed magnetic moment in the hole doped Fe-pnicitides.Moreover,our results show a sign reversal of the kinetic energy anisotropy as the magnetic ground state evolves,which may be the mechanism behind the puzzling sign reversal of the in-plane resistivity anisotropy in hole-doped Fe-pnicitides.

Crystal chemistry and structural design of iron-based superconductors

The second class of high-temperature superconductors （HTSCs）, iron-based pnictides and chalcogenides, necessarily contain Fe2X2 （＂X＂ refers to a pnictogen or a chalcogen element） layers, just like the first class of HTSCs which possess the essential CuO2 sheets. So far, dozens of iron-based HTSCs, classified into nine groups, have been discovered. In this article, the crystal-chemistry aspects of the known iron-based superconductors are reviewed and summarized by employing ＂hard and soft acids and bases （HSAB）＂ concept. Based on these understandings, we propose an alternative route to exploring new iron-based superconductors via rational structural design.

High-magnetic-field induced charge order in high-T_c cuprate superconductors

In the last few years, charge order and its entanglement with superconductivity are under hot debate in high-Tc community due to the new progress on charge order in high-Tc cuprate superconductors YBa2Cu3O6+x. Here, we will briefly introduce the experimental status of this field and mainly focus on the experimental progress of high-field nuclear magnetic resonance(NMR) study on charge order in YBa2Cu3O6+x. The pioneering high-field NMR work in YBa2Cu3O6+x sets a new stage for studying charge order which has become a ubiquitous phenomenon in high-Tc cuprate superconductors.

Angle-resolved photoemission spectroscopy study on iron-based superconductors

Angle-resolved photoemission spectroscopy （ARPES） has played an important role in determining the band structure and the superconducting gap structure of iron-based superconductors. In this paper, from the ARPES perspective, we briefly review the main results from our group in recent years on the iron-based superconductors and their parent compounds, and depict our current understanding on the antiferromagnetism and superconductivity in these materials.

Pressure-induced hydride superconductors above 200 K

Although it was proposedmany years ago that compressed hydrogen should be a high-temperature superconductor,the goal of room-temperature superconductivity has so far remained out of reach.However,the successful synthesis of the theoretically predicted hydrides H3S and LaH10 with high superconducting transition temperatures TC provides clear guidance for achieving this goal.The existence of these superconducting hydrides also confirms the utility of theoretical predictions in finding high-TC superconductors.To date,numerous hydrideshave been studied theoretically or experimentally,especially binary hydrides.Interestingly,some of them exhibit superconductivity above 200 K.To gain insight into these high-TC hydrides(>200 K)and facilitate further research,we summarize their crystal structures,bonding features,and electronic properties,as well as their superconductingmechanism.Based on hydrogen structuralmotifs,covalentH3Swith isolated hydrogen and several clathrate superhydrides(LaH10,YH9,and CaH6)are highlighted.Other predicted hydrides with various H-cages and two-dimensional H motifs are also discussed.Finally,we present a systematic discussion of the common features,current problems,and future challenges of these high-TC hydrides.

The role of CALYPSO in the discovery of high-T_c hydrogen-rich superconductors

Hydrogen-rich compounds are promising candidates for high-Tc or even room-temperature superconductors. The search for high-Tc hydrides poses a major experimental challenge because there are many known hydrides and even more unknown hydrides with unusual stoichiometries under high pressure. The combination of crystal structure prediction and first-principles calculations has played an important role in the search for high-Tc hydrides, especially in guiding experimental synthesis. Crystal structure AnaLYsis by Particle Swarm Optimization(CALYPSO) is one of the most efficient methods for predicting stable or metastable structures from the chemical composition alone. This review summarizes the superconducting hydrides predicted using CALYPSO. We focus on two breakthroughs toward room-temperature superconductors initiated by CALYPSO: the prediction of high-Tc superconductivity in compressed hydrogen sulfide and lanthanum hydrides, both of which have been confirmed experimentally and have set new record Tc values. We also address the challenges and outlook in this field.

Theory-orientated discovery of high-temperature superconductors in superhydrides stabilized under high pressure

A dream long held by physicists has been to raise the critical temperature(Tc)—the temperature below which the material exhibits no electrical resistance—of a superconductor to room temperature.The most recent excitement in that regard has centered on rare-earth superhydrides,of which LaH10 at 190 GPa has a remarkably high Tc of 260 K.

Electrochemical synthesis of alkali-intercalated iron selenide superconductors

Electrochemical method has been used to insert K/Na into FeSe lattice to prepare alkali-intercalated iron selenides at room temperature. Magnetization measurement reveals that KxFe2Se2 and NaxFe2Se2 are superconductive at 31 K and 46 K, respectively. This is the first successful report of obtaining metal-intercalated FeSe-based high-temperature superconductors using electrochemical method. It provides an effective route to synthesize metal-intercalated layered compounds for new superconductor exploration.

Electronic structure of transition metal dichalcogenides PdTe_2 and Cu_(0.05)PdTe_2 superconductors obtained by angle-resolved photoemission spectroscopy

The layered transition metal chalcogenides have been a fertile land in solid state physics for many decades. Various MX2-type transition metal dichalcogenides, such as WTe2, IrTe2, and MoS2, have triggered great attention recently, either for the discovery of novel phenomena or some extreme or exotic physical properties, or for their potential applications. PdTe2 is a superconductor in the class of transition metal dichalcogenides, and superconductivity is enhanced in its Cu- intercalated form, Cuo.05PdTe2. It is important to study the electronic structures of PdTe2 and its intercalated form in order to explore for new phenomena and physical properties and understand the related superconductivity enhancement mecha- nism. Here we report systematic high resolution angle-resolved photoemission （ARPES） studies on PdTe2 and Cuo.05PdTe2 single crystals, combined with the band structure calculations. We present in detail for the first time the complex multi-band Fermi surface topology and densely-arranged band structure of these compounds. By carefully examining the electronic structures of the two systems, we find that Cu-intercalation in PdTe2 results in electron-doping, which causes the band structure to shift downwards by nearly 16 meV in Cuo.05PdTe2. Our results lay a foundation for further exploration and investigation on PdTe2 and related superconductors.