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.

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.

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.

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.

Observation of Weyl nodes and Fermi arcs in tantalum phosphide.

A Weyl semimetal possesses spin-polarized band-crossings, called Weyl nodes, connected by topological surface arcs. The low-energy excitations near the crossing points behave the same as massless Weyl fermions, leading to exotic properties like chiral anomaly. To have the transport properties dominated by Weyl fermions, Weyl nodes need to locate nearly at the chemical potential and enclosed by pairs of individual Fermi surfaces with non-zero Fermi Chern numbers. Combining angle-resolved photoemission spectroscopy and first-principles calculation, here we show that TaP is a Weyl semimetal with only a single type of Weyl fermions, topologically distinguished from TaAs where two types of Weyl fermions contribute to the low-energy physical properties. The simple Weyl fermions in TaP are not only of fundamental interests but also of great potential for future applications. Fermi arcs on the Ta-terminated surface are observed, which appear in a different pattern from that on the As-termination in TaAs and NbAs.

Magnetic properties of Mn-doped Bi2Se3 compound: temperature dependence and pressure effects.

Magnetic susceptibility χ of Bi2-x Mn x Se3 (x = 0.01-0.2) was measured in the temperature range 4.2-300 K. For all the samples, a Curie-Weiss behaviour of χ(T) was revealed with effective magnetic moments of Mn ions corresponding to the spin value S = 5/2, which couple antiferromagnetically with the paramagnetic Curie temperature Θ ~ -50 K. In addition, for the samples of nominal composition x = 0.1 and 0.2 the effect of a hydrostatic pressure P up to 2 kbar on χ has been measured at fixed temperatures 78 and 300 K that allowed to estimate the pressure derivative of Θ to be dΘ/dP ~ -0.8 K kbar(-1). Based on the observed behaviour of Θ with varied Mn concentration and pressure, a possible mechanism of interaction between localized Mn moments is discussed.

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.

Direct observation of the spin texture in SmB6 as evidence of the topological Kondo insulator.

Topological Kondo insulators have been proposed as a new class of topological insulators in which non-trivial surface states reside in the bulk Kondo band gap at low temperature due to strong spin-orbit coupling. In contrast to other three-dimensional topological insulators, a topological Kondo insulator is truly bulk insulating. Furthermore, strong electron correlations are present in the system, which may interact with the novel topological phase. By applying spin- and angle-resolved photoemission spectroscopy, here we show that the surface states of SmB6 are spin polarized. The spin is locked to the crystal momentum, fulfilling time reversal and crystal symmetries. Our results provide strong evidence that SmB6 can host topological surface states in a bulk insulating gap stemming from the Kondo effect, which can serve as an ideal platform for investigating of the interplay between novel topological quantum states with emergent effects and competing orders induced by strongly correlated electrons.

Superconductivity in a new layered bismuth oxyselenide: LaO(0.5)F(0.5)BiSe2.

We report superconductivity at T(c) ≈ 2.6 K in a new layered bismuth oxyselenide LaO(0.5)F(0.5)BiSe2 with the ZrCuSiAs-type structure composed of alternating superconducting BiSe2 and blocking LaO layers. The superconducting properties of LaO(0.5)F(0.5)BiSe2 were investigated by means of dc magnetization, resistivity and muon-spin rotation experiments, revealing the appearance of bulk superconductivity with a rather large superconducting volume fraction of ≈ 70% at 1.8 K.

Dispersive x-ray absorption studies at the Fe K-edge on the iron chalcogenide superconductor FeSe under pressure.

The local structure and the electronic properties of FeSe under hydrostatic pressure were studied by means of dispersive x-ray absorption measurements at the Fe K-edge. The pressure dependence of the x-ray absorption near edge structure features seems to follow the behavior of the superconducting transition temperature Tc. The local structure, that has an important impact on the superconducting properties, appears to fall into two regimes: the pressure dependence of the Fe-Fe bond distance shows a clear change in the compressibility at p ∼ 5 GPa; in contrast, the Fe-Se bond distance decreases continuously with increasing pressure with a lower compressibility than the Fe-Fe bond. The results suggest that the pressure dependent changes in Tc of FeSe are closely related to the changes in local structure.

Crystal structure of BaFe2Se3 as a function of temperature and pressure: phase transition phenomena and high-order expansion of Landau potential.

BaFe2Se3 (Pnma, CsAg2I3-type structure), recently assumed to show superconductivity at ~11 K, exhibits a pressure-dependent structural transition to the CsCu2Cl3-type structure (Cmcm space group) around 60 kbar, as evidenced from pressure-dependent synchrotron powder diffraction data. Temperature-dependent synchrotron powder diffraction data indicate an evolution of the room-temperature BaFe2Se3 structure towards a high-symmetry CsCu2Cl3 form upon heating. Around 425 K BaFe2Se3 undergoes a reversible, first-order isostructural transition, which is supported by the differential scanning calorimetry data. The temperature-dependent structural changes occur in two stages, as determined by the alignment of the FeSe4 tetrahedra and corresponding adjustments of the positions of Ba atoms. On further heating, a second-order phase transformation into the Cmcm structure is observed at 660 K. A rather unusual combination of isostructural and second-order phase transformations is parameterized within phenomenological theory assuming high-order expansion of the Landau potential. A generic phase diagram mapping observed structures is proposed on the basis of the parameterization.

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.

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.

Intrinsic crystal phase separation in the antiferromagnetic superconductor Rb(y)Fe(2-x)Se2: a diffraction study.

The crystal and magnetic structures of the superconducting iron-based chalcogenides Rb(y)Fe(2-x)Se(2) have been studied by means of single-crystal synchrotron x-ray and high-resolution neutron powder diffraction in the temperature range 2-570 K. The ground state of the crystal is an intrinsically phase-separated state with two distinct-by-symmetry phases. The main phase has the iron vacancy ordered √5 × âˆš5 superstructure (I4/m space group) with AFM ordered Fe spins. The minority phase does not have √5 × âˆš5-type of ordering and has a smaller in-plane lattice constant a and larger tetragonal c-axis and can be well described by assuming the parent average vacancy disordered structure (I4/mmm space group) with the refined stoichiometry Rb(0.60(5))(Fe(1.10(5))Se)(2). The minority phase amounts to 8-10% mass fraction. The unit cell volume of the minority phase is 3.2% smaller than the one of the main phase at T = 2 K and has quite different temperature dependence. The minority phase merges with the main vacancy ordered phase on heating above the phase separation temperature T(P) = 475 K. The spatial dimensions of the phase domains strongly increase above T(P) from 1000 to >2500 Å due to the integration of the regions of the main phase that were separated by the second phase at low temperatures. Additional annealing of the crystals at a temperature T = 488 K, close to T(P), for a long time drastically reduces the amount of the minority phase.

Synthesis of a new alkali metal-organic solvent intercalated iron selenide superconductor with Tc ≈ 45 K.

We report on a new iron selenide superconductor with a T(c) onset of 45 K and the nominal composition Li(x)(C(5)H(5)N)(y)Fe(2-z)Se(2), synthesized via intercalation of dissolved alkaline metal in anhydrous pyridine at room temperature. This superconductor exhibits a broad transition, reaching zero resistance at 10 K. Magnetization measurements reveal a superconducting shielding fraction of approximately 30%. Analogous phases intercalated with Na, K and Rb were also synthesized and characterized. The superconducting transition temperature of Li(x)(C(5)H(5)N)(y)Fe(2-z)Se(2) is clearly enhanced in comparison to those of the known superconductors FeSe(0.98) (T(c) ~ 8 K) and A(x)Fe(2-y)Se(2) (T(c) ~ 27-32 K) and is in close agreement with critical temperatures recently reported for Li(x)(NH(3))(y)Fe(2-z)Se(2). Post-annealing of intercalated material (Li(x)(C(5)H(5)N)(y)Fe(2-z)Se(2)) at elevated temperatures drastically enlarges the c-parameter of the unit cell (~44%) and increases the superconducting shielding fraction to nearly 100%. Our findings indicate a new synthesis route leading to possibly even higher critical temperatures for materials in this class: by intercalation of organic compounds between Fe-Se layers.