Pressure-induced structural,electronic,and superconducting phase transitions in TaSe_(3)

TaSe_(3)has garnered significant research interests due to its unique quasi-one-dimensional crystal structure,which gives rise to distinctive properties.Using crystal structure search and first-principles calculations,we systematically investigated the pressure-induced structural and electronic phase transitions of quasi-one-dimensional TaSe_(3)up to 100 GPa.In addition to the ambient pressure phase(P2_(1)/m-I),we identified three high-pressure phases:P2_(1)/m-II,Pnma,and Pmma.For the P2_(1)/m-I phase,the inclusion of spin-orbit coupling(SOC)results in significant SOC splitting and changes in the band inversion characteristics.Furthermore,band structure calculations for the three high-pressure phases indicate metallic natures,and the electron localization function suggests ionic bonding between Ta and Se atoms.Our electron-phonon coupling calculations reveal a superconducting critical temperature of approximately 6.4 K for the Pmma phase at 100 GPa.This study provides valuable insights into the high-pressure electronic behavior of quasi-one-dimensional TaSe_(3).

Theoretical Predictions on Superconducting Phase above Room Temperature in Lutetium-Beryllium Hydrides at High Pressures

High-pressure structural search was performed on the hydrogen-rich compound LuBeH8at pressures up to 200 GPa.We found an Fm3m structure that exhibits stability and superconductivity above 100 GPa.Our phonon dispersion,electronic band structure,and superconductivity analyses in the 100–200 GPa pressure range reveal a strong electron–phonon coupling in Lu Be H8,while the superconducting critical temperature Tcshows a decreasing trend as the pressure increases,with T_(c)=255 K at 200 GPa and maximal T_(c)=355 K at 100 GPa.This study demonstrated the room-temperature superconductivity in Fm3m thus enriching the family of ternary hydrides.These findings provide valuable guidance for identifying new high-temperature superconducting hydrides.

First-principles study on stability and superconductivity of ternary hydride LaYH_(x)(x=2,3,6 and 8)

Recent studies have shown that the La-and Y-hydrides can exhibit significant superconducting properties under high pressures.In this paper,we investigate the stability,electronic and superconducting properties of LaYH_(x)(x=2,3,6 and 8)under 0-200 GPa.It is found that LaYH_(2) stabilizes in the C2/m phase at ambient pressure,and transforms to the Pmmn phase at 67 GPa.LaYH_(3) stabilizes in the C2/m phase at ambient pressure,and undergoes phase transitions of C2/m→P2_(1)/m→R3m at 12 GPa and 87 GPa,respectively.LaYH_(6) stabilizes in the P4_32_12 phase at ambient pressure,and undergoes phase transitions of P4_(3)2_(1)2→P4/mmm→Cmcm at 28 GPa and 79 GPa,respectively.LaYH_(8) stabilizes in the Imma phase at 60 GPa and transforms to the P4/mmm phase at 117 GPa.Calculations of the electronic band structures show that the P4/mmm-LaYH_(8) and all phases of LaYH_(2) and LaYH_(3) exhibit metallic character.For the metallic phases,we then study their superconducting properties.The calculated superconducting transition temperatures(T_c)are 0.47 K for C2/m-LaYH_(2) at 0 GPa,0 K for C2/m-LaYH_(3) at 0 GPa,and 55.51 K for P4/mmm-LaYH_(8) at 50 GPa.

High-Temperature Superconductivity in La_(3)Ni_(2)O_(7)

Motivated by the recent discovery of high-temperature superconductivity in bilayer La_(3)Ni_(2)O_(7) under pressure,we study its electronic properties and superconductivity due to strong electron correlation.Using the inversion symmetry,we decouple the low-energy electronic structure into block-diagonal symmetric and antisymmetric sectors.It is found that the antisymmetric sector can be reduced to a one-band system near half filling,while the symmetric bands occupied by about two electrons are heavily overdoped individually.Using the strong coupling mean field theory,we obtain strong superconducting pairing with B_(1g)symmetry in the antisymmetric sector.We propose that due to the spin-orbital exchange coupling between the two sectors,B_(1g)pairing is induced in the symmetric bands,which in turn boosts the pairing gap in the antisymmetric band and enhances the high-temperature superconductivity with a congruent d-wave symmetry in pressurized La_(3)Ni_(2)O_(7).

Decoupling of Rattling Mode and Superconductivity in Filled-Skutterudite Ba_(x)Ir_(4)Sb_(12)

The rattling mode,an anharmonic vibrational phonon,is widely recognized as a critical factor in the emergence of superconductivity in caged materials.Here,we present a counterexample in a filled-skutterudite superconductor Ba_(x)Ir_(4)Sb_(12)(x=0.8,0.9,1.0),synthesized via a high-pressure route.Transport measurements down to liquid 3He temperatures reveal a transition temperature(T_(c))of 1.2 K and an upper critical field(H_(c2))of 1.3 T.Unlike other superconductors with caged structures,the Ba_(x)Ir_(4)Sb_(12)(X=P,As,Sb)family exhibits a monotonic decreasing T_(c) with the enhancement of the rattling mode,as indicated by fitting the Bloch–Grüneisen formula.Theoretical analysis suggests that electron doping from Ba transforms the direct bandgap IrSb3 into a metal,with the Fermi surface dominated by the hybridization of Ir 5d and Sb 5p orbitals.Our findings of decoupled rattling modes and superconductivity distinguish the Ba_(x)Ir_(4)Sb_(12) family from other caged superconductors,warranting further exploration into the underlying mechanism.

Signature of Superconductivity in Pressurized La_(4)Ni_(3)O_(10)

The discovery of high-temperature superconductivity near 80K in bilayer nickelate La_(3)Ni_(2)O_(7)under high pressures has renewed the exploration of superconducting nickelate in bulk materials.The extension of superconductivity in other nickelates in a broader family is also essential.Here,we report the experimental observation of superconducting signature in trilayer nickelate La_(4)Ni_(3)O_(10)under high pressures.By using a modified solgel method and post-annealing treatment under high oxygen pressure,we successfully obtained polycrystalline La_(4)Ni_(3)O_(10)samples with different transport behaviors at ambient pressure.Then we performed high-pressure electrical resistance measurements on these samples in a diamond-anvil-cell apparatus.Surprisingly,the signature of possible superconducting transition with a maximum transition temperature(T_(c))of about 20K under high pressures is observed,as evidenced by a clear drop of resistance and the suppression of resistance drops under magnetic fields.Although the resistance drop is sample-dependent and relatively small,it appears in all of our measured samples.We argue that the observed superconducting signal is most likely to originate from the main phase of La_(4)Ni_(3)O_(10).Our findings will motivate the exploration of superconductivity in a broader family of nickelates and shed light on the understanding of the underlying mechanisms of high-T_(c) superconductivity in nickelates.

Unveiling a novel metal-to-metal transition in LuH_(2):Critically challenging superconductivity claims in lutetium hydrides

Following the recent report by Dasenbrock-Gammon et al.[Nature 615,244–250(2023)]of near-ambient superconductivity in nitrogendoped lutetium trihydride(LuH_(3-δ)N_(ε)),significant debate has emerged surrounding the composition and interpretation of the observed sharp resistance drop.Here,we meticulously revisit these claims through comprehensive characterization and investigations.We definitively identify the reported material as lutetium dihydride(LuH_(2)),resolving the ambiguity surrounding its composition.Under similar conditions(270–295 K and 1–2 GPa),we replicate the reported sharp decrease in electrical resistance with a 30%success rate,aligning with the observations by Dasenbrock-Gammon et al.However,our extensive investigations reveal this phenomenon to be a novel pressure-induced metal-to-metal transition intrinsic to LuH_(2),distinct from superconductivity.Intriguingly,nitrogen doping exerts minimal impact on this transition.Our work not only elucidates the fundamental properties of LuH_(2)andLuH_(3),but also critically challenges the notion of superconductivity in these lutetium hydride systems.These findings pave the way for future research on lutetium hydride systems,while emphasizing the crucial importance of rigorous verification in claims of ambient-temperature superconductivity.

Superconductivity in kagome metal ThRu_(3)Si_(2)

We report the physical properties of ThRu_(3)Si_(2)featured with distorted Ru kagome lattice.The combined experiments of resistivity,magnetization and specific heat reveal bulk superconductivity with T_(c)=3.8 K.The specific heat jump and calculated electron–phonon coupling indicate a moderate coupled BCS superconductor.In comparison with LaRu_(3)Si_(2),the calculated electronic structure in ThRu_(3)Si_(2)shows an electron-doping effect with electron filling lifted from 100 meV below flat bands to 300 meV above it.This explains the lower superconducting transition temperature and weaker electron correlations observed in ThRu_(3)Si_(2).Our work suggests the Tc and electronic correlations in the kagome superconductor could have an intimate connection with the flat bands.

Coexistence of antiferromagnetism and unconventional superconductivity in a quasi-one-dimensional flat-band system:Creutz lattice

We study the coexistence of antiferromagnetism and unconventional superconductivity on the Creutz lattice which shows strictly flat bands in the noninteracting regime.The famous renormalized mean-field theory is used to deal with strong electron-electron repulsive Hubbard interaction in the effective low-energy t-J model,the superfluid weight of the unconventional superconducting state has been calculated via the linear response theory.An unconventional superconducting state with both spin-singlet and staggered spin-triplet pairs emerges beyond a critical antiferromagnetic coupling interaction,while antiferromagnetism accompanies this state.The superconducting state with only spin-singlet pairs is dominant with paramagnetic phase.The A phase is analogous to the pseudogap phase,which shows that electrons go to form pairs but do not cause a supercurrent.We also show the superfluid behavior of the unconventional superconducting state and its critical temperature.It is proven directly that the flat band can effectively raise the critical temperature of superconductivity.It is implementable to simulate and control strongly-correlated electrons'behavior on the Creutz lattice in the ultracold atoms experiment or other artificial structures.Our results may help the understanding of the interplay between unconventional superconductivity and magnetism.

Chiral symmetry protected topological nodal superconducting phase and Majorana Fermi arc

With an external in-plane magnetic field, we show the emergence of a topological nodal superconducting phase of the two-dimensional topological surface states. This nodal superconducting phase is protected by the chiral symmetry with a non-zero magnetic field, and there are corresponding Majorana Fermi arcs(also known as flat band Andreev bound states) connecting the two Majorana nodes along the edges, similar to the case of Weyl semimetal. The topological nodal superconductor is an intermediate phase between two different chiral superconductors, and is stable against the effects of substrates. The two-dimensional effective theory of the nodal superconducting phase also captures the low energy behavior of a three-dimensional lattice model which describes the iron-based superconductor with a thin film geometry. The localizations of the Majorana nodes can be manipulated through external in-plane magnetic fields, which may introduce a non-trivial topological Berry phase between them.

Enhancing superconductivity of ultrathin YBa2Cu3O7-δ films by capping non-superconducting oxides

In this study, we have explored the ways to fabricate and optimize high-quality ultrathin YBa2 Cu3 O7-δ(YBCO) films grown on single-crystal(001) SrTiO3 substrates. Nearly atomic-flat YBCO films are obtained by pulsed laser deposition.Our result shows that the termination of SrTiO3 has only a negligible effect on the properties of YBCO. In contrast, we found that capping a non-superconducting oxide layer can generally enhance the superconductivity of YBCO. PrBa2 Cu3 O7,La2 CuO4, LaMnO3, SrTiO3, and LaAlO3 have been examined as capping layers, and the minimum thickness of superconducting YBCO with capping is ~ 2 unit cells–3 unit cells. This result might be useful in constructing good-performance YBCO-based field effect devices.

The near-room-temperature upsurge of electrical resistivity in Lu-H-N is not superconductivity,but a metal-to-poor-conductor transition

The recent report of superconductivity in nitrogen-doped lutetium hydride(Lu-H-N)at 294 K and 1 GPa brought hope for long-sought-after ambient-condition superconductors.However,the failure of scientists worldwide to independently reproduce these results has cast intense skepticism on this exciting claim.In this work,using a reliable experimental protocol,we synthesized Lu-H-N while minimizing extrinsic influences and reproduced the sudden change in resistance near room temperature.With quantitative comparison of the temperaturedependent resistance between Lu-H-N and the pure lutetium before reaction,we were able to clarify that the drastic resistance change is most likely caused by a metal-to-poor-conductor transition rather than by superconductivity.Herein,we also briefly discuss other issues recently raised in relation to the Lu-H-N system.

Superconductivity Observed in Tantalum Polyhydride at High Pressure

We report experimental discovery of tantalum polyhydride superconductor.It was synthesized under highpressure and high-temperature conditions using diamond anvil cell combined with in situ high-pressure laser heating techniques.The superconductivity was investigated via resistance measurements at pressures.The highest superconducting transition temperature T_(c)was found to be~30 K at 197 GPa in the sample that was synthesized at the same pressure with~2000 K heating.The transitions are shifted to low temperature upon applying magnetic fields that support the superconductivity nature.The upper critical field at zero temperatureμ_0H_(c2)(0)of the superconducting phase is estimated to be~20 T that corresponds to Ginzburg-Landau coherent length~40 A.Our results suggest that the superconductivity may arise from 143d phase of TaH_(3).It is,for the first time to our best knowledge,experimental realization of superconducting hydrides for the VB group of transition metals.

No evidence of superconductivity in a compressed sample prepared from lutetium foil and H_(2)/N_(2) gas mixture

A material described as lutetium–hydrogen–nitrogen(Lu-H-N in short)was recently claimed to have“near-ambient superconductivity”[Dasenbrock-Gammon et al.,Nature 615,244–250(2023)].If this result could be reproduced by other teams,it would be a major scientific breakthrough.Here,we report our results of transport and structure measurements on a material prepared using the same method as reported by Dasenbrock-Gammon et al.Our x-ray diffraction measurements indicate that the obtained sample contains three substances:the facecentered-cubic(FCC)-1 phase(Fm-3m)with lattice parameter a=5.03Å,the FCC-2 phase(Fm-3m)with a lattice parameter a=4.755Å,and Lu metal.The two FCC phases are identical to the those reported in the so-called near-ambient superconductor.However,we find from our resistance measurements in the temperature range from 300 K down to 4 K and the pressure range 0.9–3.4 GPa and our magnetic susceptibility measurements in the pressure range 0.8–3.3 GPa and the temperature range down to 100 K that the samples show no evidence of superconductivity.We also use a laser heating technique to heat a sample to 1800 XC and find no superconductivity in the produced dark blue material below 6.5 GPa.In addition,both samples remain dark blue in color in the pressure range investigated.

INFLUENCE OF NANOMETER GRAIN SIZE OF Bi-2212 PHASE ON SUPERCONDUCTIVITY

Bi-2212 superconductive oxides with nanometer grains have been prepared by means of crystallization from amorphous materials.The structure and grain-size of samples were examined by.X-ray.diffraction,scanning electron microscopy.and high resolution electron microscopy.The temperature dependence of the resistivity.and a.c.susceptibility was measured by the standard four-probe method and the standard mutual-induction measurement,respectively.With the decrease of temperature,the resistivity of the Bi-2212 phase with grain size in nanometer was found to diminish to zero without sudden drop.No diamagnetic transition was detected from room temperature to 4.2 K.The formation of the nanocrystalline 2212 phase and the effect of grain size on the superconductivity were discussed.

Topological Structure of Phase Vortex in Resonating Valence Bond Superconductivity

In this paper, based on the Schrfdinger equation and the ψ mapping theory, the accurate expression for the gradient of resonating valence bond superconducting phase Θ^2s is found. The expression of Δ↓Θ^2s is just the velocity flow without considering the coefficient. The curl of Δ↓Θ^2s is where the vortex lies, and has important relation to δ2（ψ） and an important relation to the zero points of resonating valence bond superconducting order parameter ψ. The topological structure of the vortex is characterized by the ψ-mapping topological numbers Hopf-index and Brouwer degrees. The Ginzberg-Landau equation in resonating valence bond state also is discussed in this theory. The magnetic property is discussed also.

Superconductivity in epitaxially grown LaVO_(3)/KTaO_(3)(111)heterostructures

Complex oxide heterointerfaces can host a rich of emergent phenomena,and epitaxial growth is usually at the heart of forming these interfaces.Recently,a strong crystalline-orientation-dependent two-dimensional superconductivity was discovered at interfaces between KTaO_(3)single-crystal substrates and films of other oxides.Unexpectedly,rare of these oxide films was epitaxially grown.Here,we report the existence of superconductivity in epitaxially grown LaVO_(3)/KTaO_(3)(111)heterostructures,with a superconducting transition temperature of~0.5 K.Meanwhile,no superconductivity was detected in the(001)-and(110)-orientated LaVO_(3)/KTaO_(3)heterostructures down to 50 mK.Moreover,we find that for the LaVO_(3)/KTaO_(3)(111)interfaces to be conducting,an oxygen-deficient growth environment and a minimum LaVO_(3)thickness of~0.8 nm(~2 unit cells)are needed.

First-principles study on the conventional superconductivity of N-doped fcc-LuH_(3)

Recently,room-temperature superconductivity has been reported in a nitrogen-doped lutetium hydride at near-ambient pressure[Dasenbrock-Gammon et al.,Nature 615,244(2023)].The superconducting properties might arise from Fm3m-LuH_(3)−δNε.Here,we systematically study the phase diagram of Lu–N–H at 1 GPa using first-principles calculations,and we do not find any thermodynamically stable ternary compounds.In addition,we calculate the dynamic stability and superconducting properties of N-doped Fm3m-LuH_(3) using the virtual crystal approximation(VCA)and the supercell method.The R3m-Lu_(2)H_(5)N predicted using the supercell method could be dynamically stable at 50 GPa,with a T_(c) of 27 K.According to the VCA method,the highest T_(c) is 22 K,obtained with 1%N-doping at 30 GPa.Moreover,the doping of nitrogen atoms into Fm3m-LuH_(3) slightly enhances T_(c),but raises the dynamically stable pressure.Our theoretical results show that the T_(c) values of N-doped LuH_(3) estimated using the Allen–Dynes-modified McMillan equation are much lower than room temperature.

The Superconducting Phases in Bi-Sr-Ca-Cu-O and Bi-Pb-Sr-Ca-Cu-O Superconductors at High Temperatures

The addition Of Pb enhances the hightemperature stability as well as theproportion of the high Tphase in Bi-Sr-Ca-Cu-O superconductor.The sample A with nominal composi-tion of BiSrCaCuOwas synthesized bySolid state reaction.It was sintered in airat 1153K for 24h,followed by annealingat 773K for 24h and furnace-cooling.The sample B with a nominal compositionof BiPbSrCaCuOwas prepared bymixing PbO with the powder ofBiSrCaCuOwhich had been prefired at1113K for 24h,pressing,sintering at

Temperature Dependence of phase Transitions and Superconductivity in YBa_2Cu_3O_(7-X)

By means of X-ray diffraction investigations and electric resistivity measurements the tempera- ture dependence of phase structure and supercon- ductivity in YBa_2Cu_3O_(7_x) over the temperature range of 20℃-950℃ have been studied.The lattice parameters a,b and c as well as conductivity as a function of annealing temperatures can be roughly divided into three zones which are superconductive orthorhombic structure 1(a<b(?)c/3) at 20℃-500℃,normal conductive orthorhombic structure 2(a<b<c/3)from 550℃ to about 750℃ and semiconductive-like tetragonal structure (a=b<c/3)from about 800℃ to 950℃.However, the boundaries of the three zones is not much distinctive because there is a continuous transi- tion from the orthorhombic to tetragonal struc- ture.Furthermore,the processes of orthorhom- bic-tetragonal transition in the range of 350℃-950℃ are not only continuous but also reversible.The isothermal transition of orthorhombic 2 to orthorhombic 1 occurs at 350℃-500℃,while the maximum rate of transition and high T_c superconductivity can be obtained at about 460℃.This process of isothermal transition depends on the ordering of oxygen atoms or vacancies and the thermodynamic equilibrium to allow the oxygen diffusion.