A quantum magnetic analogue to the critical point of water.

At the liquid-gas phase transition in water, the density has a discontinuity at atmospheric pressure; however, the line of these first-order transitions defined by increasing the applied pressure terminates at the critical point1, a concept ubiquitous in statistical thermodynamics2. In correlated quantum materials, it was predicted3 and then confirmed experimentally4,5 that a critical point terminates the line of Mott metal-insulator transitions, which are also first-order with a discontinuous charge carrier density. In quantum spin systems, continuous quantum phase transitions6 have been controlled by pressure7,8, applied magnetic field9,10 and disorder11, but discontinuous quantum phase transitions have received less attention. The geometrically frustrated quantum antiferromagnet SrCu2(BO3)2 constitutes a near-exact realization of the paradigmatic Shastry-Sutherland model12-14 and displays exotic phenomena including magnetization plateaus15, low-lying bound-state excitations16, anomalous thermodynamics17 and discontinuous quantum phase transitions18,19. Here we control both the pressure and the magnetic field applied to SrCu2(BO3)2 to provide evidence of critical-point physics in a pure spin system. We use high-precision specific-heat measurements to demonstrate that, as in water, the pressure-temperature phase diagram has a first-order transition line that separates phases with different local magnetic energy densities, and that terminates at an Ising critical point. We provide a quantitative explanation of our data using recently developed finite-temperature tensor-network methods17,20-22. These results further our understanding of first-order quantum phase transitions in quantum magnetism, with potential applications in materials where anisotropic spin interactions produce the topological properties23,24 that are useful for spintronic applications.

Evidence of a Coulomb-Interaction-Induced Lifshitz Transition and Robust Hybrid Weyl Semimetal in T_{d}-MoTe_{2}.

Using soft x-ray angle-resolved photoemission spectroscopy we probed the bulk electronic structure of T_{d}-MoTe_{2}. We found that on-site Coulomb interaction leads to a Lifshitz transition, which is essential for a precise description of the electronic structure. A hybrid Weyl semimetal state with a pair of energy bands touching at both type-I and type-II Weyl nodes is indicated by comparing the experimental data with theoretical calculations. Unveiling the importance of Coulomb interaction opens up a new route to comprehend the unique properties of MoTe_{2}, and is significant for understanding the interplay between correlation effects, strong spin-orbit coupling and superconductivity in this van der Waals material.

Complementary Response of Static Spin-Stripe Order and Superconductivity to Nonmagnetic Impurities in Cuprates.

We report muon-spin rotation and neutron-scattering experiments on nonmagnetic Zn impurity effects on the static spin-stripe order and superconductivity of the La214 cuprates. Remarkably, it was found that, for samples with hole doping x≈1/8, the spin-stripe ordering temperature T_{so} decreases linearly with Zn doping y and disappears at y≈4%, demonstrating a high sensitivity of static spin-stripe order to impurities within a CuO_{2} plane. Moreover, T_{so} is suppressed by Zn in the same manner as the superconducting transition temperature T_{c} for samples near optimal hole doping. This surprisingly similar sensitivity suggests that the spin-stripe order is dependent on intertwining with superconducting correlations.

Distinct Evolutions of Weyl Fermion Quasiparticles and Fermi Arcs with Bulk Band Topology in Weyl Semimetals.

The Weyl semimetal phase is a recently discovered topological quantum state of matter characterized by the presence of topologically protected degeneracies near the Fermi level. These degeneracies are the source of exotic phenomena, including the realization of chiral Weyl fermions as quasiparticles in the bulk and the formation of Fermi arc states on the surfaces. Here, we demonstrate that these two key signatures show distinct evolutions with the bulk band topology by performing angle-resolved photoemission spectroscopy, supported by first-principles calculations, on transition-metal monophosphides. While Weyl fermion quasiparticles exist only when the chemical potential is located between two saddle points of the Weyl cone features, the Fermi arc states extend in a larger energy scale and are robust across the bulk Lifshitz transitions associated with the recombination of two nontrivial Fermi surfaces enclosing one Weyl point into a single trivial Fermi surface enclosing two Weyl points of opposite chirality. Therefore, in some systems (e.g., NbP), topological Fermi arc states are preserved even if Weyl fermion quasiparticles are absent in the bulk. Our findings not only provide insight into the relationship between the exotic physical phenomena and the intrinsic bulk band topology in Weyl semimetals, but also resolve the apparent puzzle of the different magnetotransport properties observed in TaAs, TaP, and NbP, where the Fermi arc states are similar.

Momentum-Resolved Electronic Structure of the High-T_{c} Superconductor Parent Compound BaBiO_{3}.

We investigate the band structure of BaBiO_{3}, an insulating parent compound of doped high-T_{c} superconductors, using in situ angle-resolved photoemission spectroscopy on thin films. The data compare favorably overall with density functional theory calculations within the local density approximation, demonstrating that electron correlations are weak. The bands exhibit Brillouin zone folding consistent with known BiO_{6} breathing distortions. Though the distortions are often thought to coincide with Bi^{3+}/Bi^{5+} charge ordering, core level spectra show that bismuth is monovalent. We further demonstrate that the bands closest to the Fermi level are primarily oxygen derived, while the bismuth 6s states mostly contribute to dispersive bands at deeper binding energy. The results support a model of Bi-O charge transfer in which hole pairs are localized on combinations of the O 2p orbitals.

Crystallization of zirconia based thin films.

The crystallization kinetics of amorphous 3 and 8 mol% yttria stabilized zirconia (3YSZ and 8YSZ) thin films grown by pulsed laser deposition (PLD), spray pyrolysis and dc-magnetron sputtering are explored. The deposited films were heat treated up to 1000 °C ex situ and in situ in an X-ray diffractometer. A minimum temperature of 275 °C was determined at which as-deposited amorphous PLD grown 3YSZ films fully crystallize within five hours. Above 325 °C these films transform nearly instantaneously with a high degree of micro-strain when crystallized below 500 °C. In these films the t'' phase crystallizes which transforms at T > 600 °C to the t' phase upon relaxation of the micro-strain. Furthermore, the crystallization of 8YSZ thin films grown by PLD, spray pyrolysis and dc-sputtering are characterized by in situ XRD measurements. At a constant heating rate of 2.4 K min(-1) crystallization is accomplished after reaching 800 °C, while PLD grown thin films were completely crystallized already at ca. 300 °C.

Negative oxygen isotope effect on the static spin stripe order in superconducting La(2-x)Ba(x)CuO(4) (x=1/8) observed by muon-spin rotation.

Large negative oxygen-isotope (^{16}O and ^{18}O) effects (OIEs) on the static spin-stripe-ordering temperature T_{so} and the magnetic volume fraction V_{m} were observed in La_{2-x}Ba_{x}CuO_{4}(x=1/8) by means of muon-spin-rotation experiments. The corresponding OIE exponents were found to be α_{T_{so}}=-0.57(6) and α_{V_{m}}=-0.71(9), which are sign reversed to α_{T_{c}}=0.46(6) measured for the superconducting transition temperature T_{c}. This indicates that the electron-lattice interaction is involved in the stripe formation and plays an important role in the competition between bulk superconductivity and static stripe order in the cuprates.

Correlated decay of triplet excitations in the Shastry-Sutherland compound SrCu2(BO3)2.

The temperature dependence of the gapped triplet excitations (triplons) in the 2D Shastry-Sutherland quantum magnet SrCu(2)(BO(3))(2) is studied by means of inelastic neutron scattering. The excitation amplitude rapidly decreases as a function of temperature, while the integrated spectral weight can be explained by an isolated dimer model up to 10 K. Analyzing this anomalous spectral line shape in terms of damped harmonic oscillators shows that the observed damping is due to a two-component process: one component remains sharp and resolution limited while the second broadens. We explain the underlying mechanism through a simple yet quantitatively accurate model of correlated decay of triplons: an excited triplon is long lived if no thermally populated triplons are nearby but decays quickly if there are. The phenomenon is a direct consequence of frustration induced triplon localization in the Shastry-Sutherland lattice.

Two-dimensional superfluid density in an alkali metal-organic solvent intercalated iron selenide superconductor Li(C5H5N)0.2Fe2Se2.

We report the low-temperature electronic and magnetic properties of the alkali metal-organic solvent intercalated iron selenide superconductor Li(C5H5N)0.2Fe2Se2 using muon-spin-spectroscopy measurements. The zero-field muon spin relaxation (µSR) results indicate that nearly half of the sample is magnetically ordered and spatially phase separated from the superconducting region. The transverse-field µSR results reveal that the superfluid density of Li(C5H5N)0.2Fe2Se2 is two dimensional in nature. The temperature dependence of the penetration depth λ(T) can be explained using a two-gap s-wave model. This implies that, despite the 2D nature of the superfluid density, the symmetry of the superconducting gap remains unaltered to the parent compound FeSe.

Field-induced quantum soliton lattice in a frustrated two-leg spin-1/2 ladder.

Based on high-field (31)P nuclear magnetic resonance experiments and accompanying numerical calculations, it is argued that in the frustrated S=1/2 ladder compound BiCu(2)PO(6) a field-induced soliton lattice develops above a critical field of µ(0)H(c1)=20.96(7) T. Solitons result from the fractionalization of the S=1, bosonlike triplet excitations, which in other quantum antiferromagnets are commonly known to experience Bose-Einstein condensation or to crystallize in a superstructure. Unlike in spin-Peierls systems, these field-induced quantum domain walls do not arise from a state with broken translational symmetry and are triggered exclusively by magnetic frustration. Our model predicts yet another second-order phase transition at H(c2)>H(c1), driven by soliton-soliton interactions, most likely corresponding to the one observed in recent magnetocaloric and other bulk measurements.

Coexistence of magnetism and superconductivity in the iron-based compound Cs0.8(FeSe0.98)2.

We report on muon-spin rotation and relaxation (µSR), electrical resistivity, magnetization and differential scanning calorimetry measurements performed on a high-quality single crystal of Cs(0.8)(FeSe(0.98))(2). Whereas our transport and magnetization data confirm the bulk character of the superconducting state below T(c)=29.6(2) K, the µSR data indicate that the system is magnetic below T(N)=478.5(3) K, where a first-order transition occurs. The first-order character of the magnetic transition is confirmed by differential scanning calorimetry data. Taken all together, these data indicate in Cs(0.8)(FeSe(0.98))(2) a microscopic coexistence between the superconducting phase and a strong magnetic phase. The observed T(N) is the highest reported to date for a magnetic superconductor.

Temperature and pressure evolution of the crystal structure of A(x)(Fe(1-y)Se)2 (A = Cs, Rb, K) studied by synchrotron powder diffraction.

Temperature-dependent synchrotron powder diffraction on Cs(0.83)(Fe(0.86)Se)(2) revealed first-order I4/m to I4/mmm structural transformation around 216 °C associated with a disorder of the Fe vacancies. Irreversibility observed during the transition is likely associated with a mobility of the intercalated alkali atoms. Pressure-dependent synchrotron powder diffraction on Cs(0.83)(Fe(1-y)Se)(2), Rb(0.85)(Fe(1-y)Se)(2), and K(0.8)(Fe(1-y)Se)(2) (y ~ 0.14) indicated that the I4/m superstructure reflections are present up to pressures of 120 kbar. This may indicate that the ordering of the Fe vacancies is present in both superconducting and nonsuperconductive states.

Synthesis and crystal growth of Cs(0.8)(FeSe(0.98))(2): a new iron-based superconductor with T(c) = 27 K.

We report on the synthesis of large single crystals of a new FeSe layer superconductor Cs(0.8)(FeSe(0.98))(2). X-ray powder diffraction, neutron powder diffraction and magnetization measurements have been used to compare the crystal structure and the magnetic properties of Cs(0.8)(FeSe(0.98))(2) with those of the recently discovered potassium intercalated system K(x)Fe(2)Se(2). The new compound, Cs(0.8)(FeSe(0.98))(2), shows a slightly lower superconducting transition temperature (T(c) = 27.4 K) in comparison to 29.5 in (K(0.8)(FeSe(0.98))(2)). The volume of the crystal unit cell increases by replacing K by Cs-the c parameter grows from 14.1353(13) to 15.2846(11) Å. For the alkali metal intercalated layered compounds known so far, (K(0.8)Fe(2)Se(2) and Cs(0.8)(FeSe(0.98))(2)), the T(c) dependence on the anion height (distance between Fe layers and Se layers) was found to be analogous to those reported for As-containing Fe superconductors and Fe(Se(1 - x)Ch(x)), where Ch = Te, S.

Two-dimensional orbital-like magnetic order in the high-temperature La(2-x)Sr(x)CuO4 superconductor.

In high-temperature copper oxide superconductors, a novel magnetic order associated with the pseudogap phase has been identified in two different cuprate families over a wide region of temperature and doping. We report here the observation below 120 K of a similar magnetic ordering in the archetypal cuprate La(2-x)Sr(x)CuO4 (LSCO) system for x=0.085. In contrast with the previous reports, the magnetic ordering in LSCO is only short range with an in-plane correlation length of ∼10 A and is bidimensional (2D). Such a less pronounced order suggests an interaction with other electronic instabilities. In particular, LSCO also exhibits a strong tendency towards stripes ordering at the expense of the superconducting state.

Direct observation of impurity-induced magnetism in a spin-(1/2) antiferromagnetic Heisenberg two-leg spin ladder.

Nuclear magnetic resonance and magnetization measurements were used to probe the magnetic features of single-crystalline Bi(Cu(1-x)Zn(x))(2)PO(6) with 00 and we present clear evidence for a temperature-dependent variation of the local magnetization close to the Zn sites. The generic nature of this observation is indicated by results of model calculations on appropriate spin systems of limited size employing quantum Monte Carlo methods.

Pressure induced static magnetic order in superconducting FeSe1-x.

We report on a detailed investigation of the electronic phase diagram of FeSe1-x under pressures up to 1.4 GPa by means of ac magnetization and muon-spin rotation. At a pressure approximately 0.8 GPa the nonmagnetic and superconducting FeSe1-x enters a region where static magnetic order is realized above T{c} and bulk superconductivity coexists and competes on short length scales with the magnetic order below T{c}. For even higher pressures an enhancement of both the magnetic and the superconducting transition temperatures as well as of the corresponding order parameters is observed. These exceptional properties make FeSe1-x to be one of the most interesting superconducting systems investigated extensively at present.

Evolution of two-gap behavior of the superconductor FeSe1-x.

The superfluid density, rho{s}, of the iron chalcogenide superconductor, FeSe1-x, was studied as a function of pressure by means of muon-spin rotation. The analysis of rho{s}(T) within the two-gap scheme reveals that the effect on both, the transition temperature T{c} and rho{s}(0), is entirely determined by the band(s) where the large superconducting gap develops, while the band(s) with the small gap become practically unaffected.

Comparative study of the pressure effects on the magnetic penetration depth in electron- and hole-doped cuprate superconductors.

The effect of pressure on the magnetic penetration depth λ was tested for the hole-doped superconductor YBa(2)Cu(3)O(7-δ) and in the electron-doped one Sr(0.9)La(0.1)CuO(2) by means of magnetization measurements. Whereas a large change of λ was found in YBa(2)Cu(3)O(7-δ), confirming the non-adiabatic character of the electron-phonon coupling in hole-doped superconductors, the same quantity is not affected by pressure in electron-doped Sr(0.9)La(0.1)CuO(2), suggesting a close similarity of the latter to conventional adiabatic Bardeen-Cooper-Schrieffer superconductors. The present results imply a remarkable difference between the electronic properties of hole-doped cuprates and electron-doped Sr(0.9)La(0.1)CuO(2), giving a strong contribution to the long debated asymmetric consequences of hole and electron doping in cuprate superconductors.

High-pressure polymorphism of BaFe2Se3.

BaFe2Se3 is a potential superconductor material exhibiting transition at 11 K and ambient pressure. Here we extended the structural and performed electrical resistivity measurements on this compound up to 51 GPa and 20 GPa, respectively, in order to distinguish if the superconductivity in this sample is intrinsic to the BaFe2Se3 phase or if it is originating from minor FeSe impurities that show a similar superconductive transition temperature. The electrical resistance measurements as a function of pressure show that at 5 GPa the superconducting transition is observed at around 10 K, similar to the one previously observed for this sample at ambient pressure. This indicates that the superconductivity in this sample is most likely intrinsic to the BaFe2Se3 phase and not to FeSe with T c > 20 K at these pressures. Further increase in pressure suppressed the superconductive signal and the sample remained in an insulating state up to the maximum achieved pressure of 20 GPa. Single-crystal and powder x-ray diffraction measurements revealed two structural transformations in BaFe2Se3: a second order transition above 3.5 GPa from Pnma (CsAg2I3-type structure) to Cmcm (CsCu2Cl3-type structure) and a first order transformation at 16.6 GPa. Here, γ-BaFe2Se3 transforms into δ-BaFe2Se3 (Cmcm, CsCu2Cl3-type average structure) via a first order phase transition mechanism. This transition is characterized by a significant shortening of the b lattice parameter of γ-BaFe2Se3 (17%) and accompanied by an anisotropic expansion in the orthogonal ac plane at the transition point.

Superconductivity in alkali metal intercalated iron selenides.

Alkali metal intercalated iron selenide superconductors A x Fe2-y Se2 (where A = K, Rb, Cs, Tl/K, and Tl/Rb) are characterized by several unique properties, which were not revealed in other superconducting materials. The compounds crystallize in overall simple layered structure with FeSe layers intercalated with alkali metal. The structure turned out to be pretty complex as the existing Fe-vacancies order below ~550 K, which further leads to an antiferromagnetic ordering with Néel temperature fairly above room temperature. At even lower temperatures a phase separation is observed. While one of these phases stays magnetic down to the lowest temperatures the second is becoming superconducting below ~30 K. All these effects give rise to complex relationships between the structure, magnetism and superconductivity. In particular the iron vacancy ordering, linked with a long-range magnetic order and a mesoscopic phase separation, is assumed to be an intrinsic property of the system. Since the discovery of superconductivity in those compounds in 2010 they were investigated very extensively. Results of the studies conducted using a variety of experimental techniques and performed during the last five years were published in hundreds of reports. The present paper reviews scientific work concerning methods of synthesis and crystal growth, structural and superconducting properties as well as pressure investigations.