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At the familiar liquid-gas phase transition in water, the density jumps discontinuously at atmospheric pressure, but the line of these first-order transitions defined by increasing pressures terminates at the critical point, a concept ubiquitous in statistical thermodynamics. In correlated quantum materials, a critical point was predicted and measured terminating the line of Mott metal-insulator transitions, which are also first-order with a discontinuous charge density. In quantum spin systems, continuous quantum phase transitions (QPTs) have been investigated extensively, but discontinuous QPTs have received less attention. The frustrated quantum antiferromagnet SrCu$_2$(BO$_3$)$_2$ constitutes a near-exact realization of the paradigmatic Shastry-Sutherland model and displays exotic phenomena including magnetization plateaux, anomalous thermodynamics and discontinuous QPTs. We demonstrate by high-precision specific-heat measurements under pressure and applied magnetic field that, like water, the pressure-temperature phase diagram of SrCu$_2$(BO$_3$)$_2$ has an Ising critical point terminating a first-order transition line, which separates phases with different densities of magnetic particles (triplets). We achieve a quantitative explanation of our data by detailed numerical calculations using newly-developed finite-temperature tensor-network methods. These results open a new dimension in understanding the thermodynamics of quantum magnetic materials, where the anisotropic spin interactions producing topological properties for spintronic applications drive an increasing focus on first-order QPTs., Comment: 8+4 pages, 4+3 figures

Using soft x-ray angle-resolved photoemission spectroscopy we probed the bulk electronic structure of Td MoTe2. 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 MoTe2, and is significant for understanding the interplay between correlation effects, strong spin-orbit coupling and superconductivity in this van der Waals material., Comment: submitted on May 02 2018, to appear in PRL

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 intrinsic to the BaFe2Se3 phase and not to FeSe with Tc > 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, {\gamma}-BaFe2Se3 transforms into {\delta}-BaFe2Se3 (Cmcm, CsCu2Cl3-type average structure) via a first order phase transition mechanism. This transitions is characterized by a significant shortening of the b lattice parameter of {\gamma}-BaFe2Se3 (17%) and accompanied by an anisotropic expansion in the orthogonal ac plane at the transition point.

In this paper we present a comprehensive study of magnetic dynamics in the rare-earth orthoferrite YbFeO$_3$ at temperatures below and above the spin-reorientation (SR) transition $T_{\mathrm{SR}}=7.6$ K, in magnetic fields applied along the $a, b$ and $c$ axes. Using single-crystal inelastic neutron scattering, we observed that the spectrum of magnetic excitations consists of two collective modes well separated in energy: 3D gapped magnons with a bandwidth of $\sim$60 meV, associated with the antiferromagnetically (AFM) ordered Fe subsystem, and quasi-1D AFM fluctuations of $\sim$1 meV within the Yb subsystem, with no hybridization of those modes. The spin dynamics of the Fe subsystem changes very little through the SR transition and could be well described in the frame of semiclassical linear spin-wave theory. On the other hand, the rotation of the net moment of the Fe subsystem at $T_{\mathrm{SR}}$ drastically changes the excitation spectrum of the Yb subsystem, inducing the transition between two regimes with magnon and spinon-like fluctuations. At $T < T_{\mathrm{SR}}$, the Yb spin chains have a well defined field-induced ferromagnetic (FM) ground state, and the spectrum consists of a sharp single-magnon mode, a two-magnon bound state, and a two-magnon continuum, whereas at $T > T_{\mathrm{SR}}$ only a gapped broad spinon-like continuum dominates the spectrum. In this work we show that a weak quasi-1D coupling within the Yb subsystem $J_\text{Yb-Yb}$, mainly neglected in previous studies, creates unusual quantum spin dynamics on the low energy scales. The results of our work may stimulate further experimental search for similar compounds with several magnetic subsystems and energy scales, where low-energy fluctuations and underlying physics could be "hidden" by a dominating interaction., Comment: Main text (12 pages, 7 figures) & Supplementary Information (5 pages, 8 figures); v.2 with the correct references

By performing angle-resolved photoemission spectroscopy and first-principles calculations, we address the topological phase of CaAgP and investigate the topological phase transition in CaAg(P1-xAsx). We reveal that in CaAgP, the bulk band gap and surface states with a large bandwidth are topologically trivial, in agreement with hybrid density functional theory calculations. The calculations also indicate that application of "negative" hydrostatic pressure can transform trivial semiconducting CaAgP into an ideal topological nodal-line semimetal phase. The topological transition can be realized by partial isovalent P/As substitution at x = 0.38., Comment: 20 pages, 4 figures

The magnetic ordering of La$_{1/3}$Sr$_{2/3}$FeO$_3$ perovskite has been studied by neutron powder diffraction and $^{57}$Fe M\"ossbauer spectroscopy down to 2 K. From symmetry analysis, a chiral helical model and a collinear model are proposed to describe the magnetic structure. Both are commensurate, with propagation vector k = (0,0,1) in R-3c space group. In the former model, the magnetic moments of Fe adopt the magnetic space group P3$_{2}$21 and have helical and antiferromagnetic ordering propagating along the c axis. The model allows only one Fe site, with a magnetic moment of 3.46(2) $\mu_{\rm{B}}$ at 2 K. In the latter model, the magnetic moments of iron ions adopt the magnetic space group C2/c or C2'/c' and are aligned collinearly. The model allows the presence of two inequivalent Fe sites with magnetic moments of amplitude 3.26(3) $\mu_{\rm{B}}$ and 3.67(2) $\mu_{\rm{B}}$, respectively. The neutron diffraction pattern is equally well fitted by either model. The M\"ossbauer spectroscopy study suggests a single charge state Fe$^{3.66+}$ above the magnetic transition and a charge disproportionation into Fe$^{(3.66-\zeta)+}$ and Fe$^{(3.66+2\zeta)+}$ below the magnetic transition. The compatibility of the magnetic structure models with the M\"ossbauer spectroscopy results is discussed.

A single-phase high pressure (HP) modification of CsxFe2-ySe2 was synthesized at 11.8 GPa at ambient temperature. Structurally this polymorph is similar to the minor low pressure (LP) superconducting phase, namely they both crystallize in a ThCr2Si2-type structure without ordering of the Fe vacancies within the Fe-deficient FeSe4 layers. The HP CsxFe2-ySe2 polymorph is found to be less crystalline and nearly twice as soft compared to the parent major and minor phases of CsxFe2-ySe2. It can be quenched to low pressures and is stable at least on the scale of weeks. At ambient pressure the HP polymorph of CsxFe2-ySe2 is expected to exhibit different superconducting properties compared to its LP minor phase (Tc = 27 K).

We report muon-spin rotation and neutron-scattering experiments on non-magnetic 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 around 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 is 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., Comment: 9 pages and 9 figures

The spontaneous transformations associated with symmetry-breaking phase transitions generate domain structures and defects that may be topological in nature. The formation of these defects can be described according to the Kibble-Zurek mechanism, which provides a generic relation that applies from cosmological to interatomic lengthscales. Its verification is challenging, however, in particular at the cosmological scale where experiments are impractical. While it has been demonstrated for selected condensed-matter systems, major questions remain regarding e.g. its degree of universality. Here we develop a global Kibble-Zurek picture from the condensed-matter level. We show theoretically that a transition between two fluctuation regimes (Ginzburg and mean-field) can lead to an intermediate region with reversed scaling, and we verify experimentally this behavior for the structural transition in the series of multiferroic hexagonal manganites. Trends across the series allow us to identify additional intrinsic features of the defect formation beyond the original Kibble-Zurek paradigm., Comment: 8 pages, 4 figures

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-principle 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 non-trivial 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 magneto-transport properties observed in TaAs, TaP and NbP, where the Fermi arc states are similar., Comment: To appear in Physical Review Letters

The oxygen isotope ($^{16}$O/$^{18}$O) effect (OIE) on the pseudogap (charge-stripe ordering) temperature $T^{\ast}$ is investigated for the cuprate superconductor La$_{2-x}$Sr$_{x}$CuO$_{4}$ as a function of doping $x$ by means of x-ray absorption near edge structure (XANES) studies. A strong $x$ dependent and sign reversed OIE on $T^{\ast}$ is observed. The OIE exponent $\alpha_{T^{\ast}}$ systematically decreases from $\alpha_{T^{\ast}} = - 0.6(1.3)$ for $x = 0.15$ to $\alpha_{T^{\ast}} = - 4.4(1.1)$ for $x = 0.06$, corresponding to increasing $T^{\ast}$ and decreasing superconducting transition temperature $T_{c}$. Both $T^{\ast}(^{16}{\rm O})$ and $T^{\ast}(^{18}{\rm O})$ exhibit a linear doping dependence with different slopes and critical end points (where $T^{\ast}(^{16}{\rm O})$ and $T^{\ast}(^{18}{\rm O})$ fall to zero) at $x_{c}(^{16}{\rm O}) = 0.201(4)$ and $x_{c}(^{18}{\rm O}) = 0.182(3)$, indicating a large positive OIE of $x_{c}$ with an exponent of $\alpha_{x_{c}} = 0.84(22)$. The remarkably large and strongly doping dependent OIE on $T^{\ast}$ signals a substantial involvement of the lattice in the formation of the pseudogap, consistent with a polaronic approach to cuprate superconductivity and the vibronic character of its ground state.

The recent discovery of the topologically protected surface states in the beta-phase of PdBi2 has reignited the research interest in this class of superconductors. Here, we show results of our muon spin relaxation and rotation (muSR) measurements carried out to investigate the superconducting and magnetic properties and the topological effect in the superconducting ground state of beta-PdBi2. Zero-field muSR data reveal that no sizeable spontaneous magnetization arises with the onset of superconductivity implying that the time reversal symmetry is preserved in the superconducting state of beta-PdBi2. Further, a strong diamagnetic shift of the applied field has been observed in the transverse-field (TF) muSR experiments, indicating that any triplet-pairing channel, if present, does not dominate the superconducting condensate. Using TF-muSR, we estimate that the magnetic penetration depth is 263(10) nm at zero temperature. Temperature dependence of the magnetic penetration depth provides evidence for the existence of a nodeless single s-wave type isotropic energy gap of 0.78(1) meV at zero temperature. Our results further suggest that the topologically protected surface states have no effect on the bulk of the superconductor., Comment: accepted for publication as a Rapid Communication in Physical Review B

We report Raman light scattering in the phase separated superconducting single crystal Rb0.77Fe1.61Se2 with Tc = 32 K. The spectra have been measured in a wide temperature range 3K -500K. The observed phonon lines from the majority vacancy ordered Rb2Fe4Se5 (245) antiferromagnetic phase with TN= 525 K demonstrate modest anomalies in frequency, intensity and halfwidth at the superconductive phase transition. We identify phonon lines from the minority compressed Rb{\delta}Fe2Se2 (122) conductive phase. The superconducting gap with dx2-y2 symmetry is also detected in our spectra. In the range 0-600 cm-1 we observed the low intensive but highly polarized B1g-type background which becomes well structured under cooling. The possible magnetic or multiorbital origin of this background has been discussed. We argue that phase separation in M0.8+xFe1.6+ySe2 has pure magnetic origin. It occurs below Neel temperature when iron magnetic moment achieves some critical magnitude. We state that there is a spacer between the majority 245 and minority 122 phases. Using ab-initio spin polarized band structure calculations we demonstrate that compressed vacancy ordered Rb2Fe4Se5 phase can be conductive and therefore may serve as a protective interface spacer between the pure metallic Rb{\delta}Fe2Se2 phase and the insulating Rb2Fe4Se5 phase providing the percolative Josephson-junction like superconductivity in the whole sample of Rb0.8+xFe1.6+ySe2 Our lattice dynamics calculations show significant difference in the phonon spectra of the conductive and insulating Rb2Fe4.Se5 phases., Comment: This paper is devoted to the memory of academician Kirill Borisovich Tolpygo, prominent Physicist, Teacher and Citizen, who made a great contribution to the lattice dynamics theory and many other branches of solid state physics

A new type of Weyl semimetal state, in which the energy values of Weyl nodes are not the local extrema, has been theoretically proposed recently, namely type II Weyl semimetal. Distinguished from type I semimetal (e.g. TaAs), the Fermi surfaces in a type II Weyl semimetal consist of a pair of electron and hole pockets touching at the Weyl node. In addition, Weyl fermions in type II Weyl semimetals violate Lorentz invariance. Due to these qualitative differences distinct spectroscopy and magnetotransport properties are expected in type II Weyl semimetals. Here, we present the direct observation of the Fermi arc states in MoTe2 by using angle resolved photoemission spectroscopy. Two arc states are identified for each pair of Weyl nodes whoes surface projections of them possess single topological charge, which is a unique property for type II Weyl semimetals. The experimentally determined Fermi arcs are consistent with our first principle calculations. Our results unambiguously establish that MoTe2 is a type II Weyl semimetal, which serves as a great test bed to investigate the phenomena of new type of Weyl fermions with Lorentz invariance violated., Comment: 16 pages, 4 figures

We investigate the band structure of BaBiO$_{3}$, an insulating parent compound of doped high-$T_{c}$ superconductors, using \emph{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., Comment: minor changes to text and other figures; includes link to online Supplemental Material; accepted to Phys. Rev. Lett

Magnetic susceptibility $\chi$ of Bi$_{2-x}$Mn$_{x}$Se$_3$ ($x = 0.01-0.2$) was measured in the temperature range $4.2-300$ K. For all the samples, a Curie-Weiss behaviour of $\chi(T)$ 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 $\Theta\sim -50$ 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 $\chi$ has been measured at fixed temperatures 78 and 300 K that allowed to estimate the pressure derivative of $\Theta$ to be d$\Theta$/d$P\sim-0.8$ K/kbar. Based on the observed behaviour of $\Theta$ with varied Mn concentration and pressure, a possible mechanism of interaction between localized Mn moments is discussed., Comment: 7 pages, 6 figures

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 nonzero Fermi Chern numbers. Combining angle-resolved photoemission spectroscopy and first-principles calculation, here we show that TaP is a Weyl semimetal with only 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., Comment: 20 pages, 5 figures

Two iron-chalcogenide superconductors Li(x)[C5H5N](y)Fe(2-z)Se2 and Cs(x)Fe(2-z)Se2 in the as-prepared and annealed state have been investigated by means of the Moessbauer spectroscopy versus temperature. Multi-component spectra are obtained. One can see a non-magnetic component due to iron located in the unperturbed Fe-Se sheets responsible for superconductivity. Remaining components are magnetically ordered even at room temperature. There is some magnetically ordered iron in Fe-Se sheets perturbed by presence of the iron vacancies. Additionally, one can see iron dispersed between sheets in the form of magnetically ordered high spin trivalent ions, some clusters of above ions, and in the case of pyridine intercalated compound in the form of alpha-Fe precipitates. Pyridine intercalated sample shows traces of superconductivity in the as-prepared state, while cesium intercalated sample in the as-prepared state does not show any superconductivity. Superconductors with transition temperatures being 40 K and 25 K, respectively, are obtained upon annealing. Annealing leads to removal/ordering of the iron vacancies within Fe-Se sheets, while clusters of alpha-Fe grow in the pyridine intercalated sample.

Single crystal neutron diffraction is combined with synchrotron x-ray scattering to identify the different superlattice phases present in $Cs_{0.8}Fe_{1.6}Se_2$. A combination of single crystal refinements and first principles modelling are used to provide structural solutions for the $\sqrt{5}\times\sqrt{5}$ and $\sqrt{2}\times\sqrt{2}$ superlattice phases. The $\sqrt{5}\times\sqrt{5}$ superlattice structure is predominantly composed of ordered Fe vacancies and Fe distortions, whereas the $\sqrt{2}\times\sqrt{2}$ superlattice is composed of ordered Cs vacancies. The Cs vacancies only order within the plane, causing Bragg rods in reciprocal space. By mapping x-ray diffraction measurements with narrow spatial resolution over the surface of the sample, the structural domain pattern was determined, consistent with the notion of a majority antiferromagnetic $\sqrt{5}\times\sqrt{5}$ phase and a superconducting $\sqrt{2}\times\sqrt{2}$ phase., Comment: REVTex 4.1, 7 pages, 5 figures

A novel negative oxygen-isotope (16O/18O) effect (OIE) on the low-temperature tetragonal phase transition temperature T_{LTT} was observed in La_{2-x}Ba_xCuO_4 (x = 1/8) using high-resolution neutron powder diffraction. The corresponding OIE exponent alpha(T_{LTT}) = - 0.36(5) has the same sign as alpha(T_{so}) = -0.57(6) found for the spin-stripe order temperature T_so. The fact that the LTT transition is accompanied by charge ordering (CO) implies the presence of an OIE also for the CO temperature T_co. Furthermore, a temperature dependent shortening of the c-axis with the heavier isotope is observed. These results combined with model calculations demonstrate that anharmonic electron-lattice interactions are essential for all transitions observed in the stripe phase of cuprates., Comment: 7 pages and 7 figures, including supplemental material

We investigated the crystal structure and lattice excitations of the ternary intermetallic stannide Ca3Ir4Sn13 using neutron and x-ray scattering techniques. For T > T* ~ 38 K the x-ray diffraction data can be satisfactorily refined using the space group Pm-3n. Below T* the crystal structure is modulated with a propagation vector of q = (1/2, 1/2, 0). This may arise from a merohedral twinning in which three tetragonal domains overlap to mimic a higher symmetry, or from a doubling of the cubic unit cell. Neutron diffraction and neutron spectroscopy results show that the structural transition at T* is of a second-order, and that it is well described by mean-field theory. Inelastic neutron scattering data point towards a displacive structural transition at T* arising from the softening of a low-energy phonon mode with an energy gap of Delta(120 K) = 1.05 meV. Using density functional theory the soft phonon mode is identified as a 'breathing' mode of the Sn12 icosahedra and is consistent with the thermal ellipsoids of the Sn2 atoms found by single crystal diffraction data.

Motivated by the recent observations of incommensurate magnetic order and electric polarization in YBaCuFeO5 up to temperatures TN2 as high as 230K [1,2] we report here for the first time a model for the incommensurate magnetic structure of this material that we complement with ab-initio calculations of the magnetic exchange parameters. Using neutron powder diffraction we show that the appearance of polarization below TN2 is accompanied by the replacement of the high temperature collinear magnetic order by a circular inclined spiral with propagation vector ki=(1/2, 1/2, 1/2+-q). Moreover, we find that the polarization approximately scales with the modulus of the magnetic modulation vector q down to the lowest temperature investigated (T=3K). Further, we observe occupational Fe/Cu disorder in the FeO5-CuO5 bipyramids, although a preferential occupation of such units by Fe-Cu pairs is supported by the observed magnetic order and by density functional calculations. We calculate exchange coupling constants for different Fe/Cu distributions and show that, for those containing Fe-Cu dimers, the resulting magnetic order is compatible with the experimentally observed collinear magnetic structure (kc=(1/2, 1/2, 1/2), TN2 > T > TN1 = 440K). Based on these results we discuss possible origins for the incommensurate modulation and its coupling with ferroelectricity., Comment: 16 pages, 11 Figures, Accepted for publication in Physical Review B (8 Jan 2015)

The compound BaFe2Se3 (Pnma) has been synthesized in the form of single crystals with the average composition Ba0.992Fe1.998Se3. The Moessbauer spectroscopy used for investigation of the valence states of Fe in this compound at temperature ranging from 4.2 K till room temperature revealed the occurrence of mixed-valence state for iron. The spectrum is characterized by sharply defined electric quadrupole doublet above magnetic ordering at about 250 K. For the magnetically ordered state one sees four iron sites at least and each of them is described by separate axially symmetric electric field gradient tensor with the principal component making some angle with the hyperfine magnetic field. They form two groups occurring in equal abundances. It is likely that each group belongs to separate spin ladder with various tilts of the FeSe4 tetrahedral units along the ladder. Two impurity phases are found, i.e., superconducting FeSe and some other unidentified iron-bearing phase being magnetically disordered above 80 K. Powder form of BaFe2Se3 is unstable in contact with the air and decomposes slowly to this unidentified phase exhibiting almost the same quadrupole doublet as BaFe2Se3 above magnetic transition temperature.

Temperature dependence of the electronic structure of SmB6 is studied by high-resolution ARPES down to 1 K. We demonstrate that there is no essential difference for the dispersions of the surface states below and above the resistivity saturating anomaly (~ 3.5 K). Quantitative analyses of the surface states indicate that the quasi-particle scattering rate increases linearly as a function of temperature and binding energy, which differs from Fermi-Liquid behavior. Most intriguingly, we observe that the hybridization between the d and f states builds gradually over a wide temperature region (30 K < T < 110 K). The surface states appear when the hybridization starts to develop. Our detailed temperature-dependence results give a complete interpretation of the exotic resistivity result of SmB6, as well as the discrepancies among experimental results concerning the temperature regions in which the topological surface states emerge and the Kondo gap opens, and give new insights into the exotic Kondo crossover and its relationship with the topological surface states in the topological Kondo insulator SmB6., Comment: 8 pages, 5 figures

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 near-by but decays quickly if there are. The phenomenon is a direct consequence of frustration induced triplon localization in the Shastry--Sutherland lattice., Comment: 5 pages, 4 figures

The concept of a topological Kondo insulator (TKI) has been brought forward 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 the strong spin-orbit coupling [1-3]. In contrast to other three-dimensional (3D) topological insulators (e.g. Bi2Se3), a TKI is truly insulating in the bulk [4]. Furthermore, strong electron correlations are present in the system, which may interact with the novel topological phase. Applying spin- and angle-resolved photoemission spectroscopy (SARPES) to the Kondo insulator SmB6, a promising TKI candidate, we reveal that the surface states of SmB6 are spin polarized, and the spin is locked to the crystal momentum. Counter-propagating states (i.e. at k and -k) have opposite spin polarizations protected by time-reversal symmetry. Together with the odd number of Fermi surfaces of surface states between the 4 time-reversal invariant momenta in the surface Brillouin zone [5], these findings prove, for the first time, that SmB6 can host non-trivial topological surface states in a full insulating gap in the bulk stemming from the Kondo effect. Hence our experimental results establish that SmB6 is the first realization of a 3D TKI. It can also serve as an ideal platform for the systematic study of the interplay between novel topological quantum states with emergent effects and competing order induced by strongly correlated electrons., Comment: 4 figures

The superconducting and magnetic properties of phase-separated A$_x$Fe$_{2-y}$Se$_2$ compounds are known to depend on post-growth heat treatments and cooling profiles. This paper focusses on the evolution of microstructure on annealing, and how this influences the superconducting properties of Rb$_x$Fe$_2-y$Se$_2$ crystals. We find that the minority phase in the as-grown crystal has increased unit cell anisotropy (c/a ratio), reduced Rb content and increased Fe content compared to the matrix. The microstructure is rather complex, with two-phase mesoscopic plate-shaped features aligned along {113} habit planes. The minority phase are strongly facetted on the {113} planes, which we have shown to be driven by minimising the volume strain energy introduced as a result of the phase transformation. Annealing at 488K results in coarsening of the mesoscopic plate-shaped features and the formation of a third distinct phase. The subtle differences in structure and chemistry of the minority phase(s) in the crystals are thought to be responsible for changes in the superconducting transition temperature. In addition, scanning photoemission microscopy has clearly shown that the electronic structure of the minority phase has a higher occupied density of states of the low binding energy Fe3d orbitals, characteristic of crystals that exhibit superconductivity. This demonstrates a clear correlation between the Fe-vacancy-free phase with high c/a ratio and the electronic structure characteristics of the superconducting phase., Comment: 6 figures v2 is exactly the same as v1. The typesetting errors in the abstract have been corrected

Large negative oxygen-isotope (16O/18O) effects (OIE's) on the static spin-stripe ordering temperature T_so and the magnetic volume fraction V_m were observed in La_(2-x)Ba_xCuO_4 (x = 1/8) by means of muon spin rotation experiments. The corresponding OIE exponents were found to be alpha_(T_so) = -0.57(6) and alpha_(V_m) = -0.71(9), which are sign reversed to alpha_(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., Comment: 5 pages, 4 figures

Systematic angle-resolved photoemission spectroscopy (ARPES) experiments have been carried out to investigate the bulk and (100) surface electronic structures of a topological mixed-valence insulator candidate, YbB6. The bulk states of YbB6 were probed with bulk-sensitive soft X-ray ARPES, which show strong three-dimensionality as required by cubic symmetry. Surprisingly the measured Yb 4f states are located around 1 eV and 2.3 eV below the Fermi level (EF), instead of being near EF as indicated by first principle calculations. The dispersive bands near EF are B 2p states, which hybridize with the 4f states. Using surface-sensitive vacuum-ultraviolet ARPES, we revealed two-dimensional surface states which form three electron-like Fermi surfaces (FSs) with Dirac-cone-like dispersions. The odd number of surface FSs gives the first indication that YbB6 is a moderately correlated topological insulator. The spin-resolved ARPES measurements provide further evidence that these surface states are spin polarized with spin locked to the crystal momentum. We have observed a second set of surface states with different topology (hole-like pockets). Clear folding of the bands suggest their origin from a 1X2 reconstructed surface. The topological property of the reconstructed surface states needs further studies., Comment: 5 figures

We present the results of a systematic investigation of the magnetic properties of the three-dimensional Kondo topological insulator SmB6 using magnetization and muon-spin relaxation/rotation (muSR) measurements. The muSR measurements exhibit magnetic field fluctuations in SmB6 below 15 K due to electronic moments present in the system. However, no evidence for magnetic ordering is found down to 19 mK. The observed magnetism in SmB6 is homogeneous in nature throughout the full volume of the sample. Bulk magnetization measurements on the same sample show consistent behavior. The agreement between muSR, magnetization, and NMR results strongly indicate the appearance of intrinsic bulk magnetic in-gap states associated with fluctuating magnetic fields in SmB6 at low temperature., Comment: 5 pages, 5 figures

Pressure-dependent diffraction response of the superconducting phase separated Cs0.72Fe1.57Se2 has been studied using synchrotron radiation up to the pressure of 19 GPa. The main and secondary phases of Cs0.72Fe1.57Se2 have been observed in the whole pressure range. The main ordered phase has been found to undergo an order-disorder transition in the Fe-sublattice at least at P = 11 GPa with the corresponding kinetics on the order of hours. Contrary to the analogous temperature induced transition, the secondary phase has not been suppressed suggesting that its stability pressure range is higher than 19 GPa or the corresponding transformation kinetics is slower at room temperature. Together with the previously reported pressure-dependent resistivity and magnetic susceptibility measurements, this work indicates that superconductivity in the AxFe2-ySe2 (A - alkali metals) phases could be related to the Fe-vacancy ordering in the main phase.

The strength of the electron-phonon coupling parameter and its evolution throughout a solid's phase diagram often determines phenomena such as superconductivity, charge- and spin-density waves. Its experimental determination relies on the ability to distinguish thermally activated phonons from those emitted by conduction band electrons, which can be achieved in an elegant way by ultrafast techniques. Separating the electronic from the out-of-equilibrium lattice subsystems, we probed their re-equilibration by monitoring the transient lattice temperature through femtosecond X-ray diffraction in La$_{2-x}$Sr$_x$CuO$_4$ single crystals with $x$=0.1 and 0.21. The temperature dependence of the electron-phonon coupling is obtained experimentally and shows similar trends to what is expected from the \textit{ab-initio} calculated shape of the electronic density-of-states near the Fermi energy. This study evidences the important role of band effects in the electron-lattice interaction in solids, in particular in superconductors.

We study the zero-point and thermal ionic motion in La$_2$CuO$_4$ by means of high-resolution neutron diffraction experiments. Our results demonstrate anisotropic motion of O and to a lesser extent of Cu ions, both consistent with the structure of coupled CuO$_6$ octahedra, and quantify the relative effects of zero-point and thermal contributions to ionic motion. By substitution of $^{18}$O, we find that the oxygen isotope effect on the lattice dimensions is small and negative ($-0.01\%$), while the isotope effect on the ionic displacement parameters is significant ($-6$ to $50\%$). We use our results as input for theoretical estimates of the distribution of magnetic interaction parameters, $J$, in an effective one-band model for the cuprate plane. We find that ionic motion causes only small ($1\%$) effects on the average value $\langle J\rangle$, which vary with temperature and O isotope, but results in dramatic ($10$-$20\%$) fluctuations in $J$ values that are subject to significant ($8$-$12\%$) isotope effects. We demonstrate that this motional broadening of $J$ can have substantial effects on certain electronic and magnetic properties in cuprates., Comment: 13 pages, 9 figures

We report superconductivity in a new layered bismuth oxyselenide LaO0.5F0.5BiSe2 with the ZrCuSiAs-type structure composed of alternating superconducting BiSe2 and blocking LaO layers. The superconducting transition temperature is TC = 2.6K, as revealed from DC magnetization, resistivity and muon spin rotation (muSR) experiments. DC magnetization measurements indicate a superconducting volume fraction of approximately 80%, which is at least twice higher in comparison to that found in corresponding sulphide LaO0.5F0.5BiS2. Importantly, the bulk character of superconductivity in LaO0.5F0.5BiSe2 was confirmed by muSR.

Spin waves in the the rare earth orthorferrite YFeO$_3$ have been studied by inelastic neutron scattering and analyzed with a full four-sublattice model including contributions from both the weak ferromagnetic and hidden antiferromagnetic orders. Antiferromagnetic (AFM) exchange interactions of $J_1 = -4.23 \pm 0.08$ (nearest-neighbors only) or $J_1 = -4.77 \pm 0.08$ meV and $J_2 = -0.21 \pm 0.04$ meV lead to excellent fits for most branches at both low and high energies. An additional branch associated with the hidden antiferromagnetic order was observed. This work paves the way for studies of other materials in this class containing spin reorientation transitions and magnetic rare earth ions., Comment: 6 page, 4 figures

The spin gap evolution upon Ca doping in Sr14-xCaxCu24O41 was systematically investigated using inelastic neutron scattering. We discover that the singlet-triplet spin gap excitation survives in this series with x up to 13, indicating the singlet dimer ground state in these compounds. This observation corrects the previous speculation that the spin gap collapses at x~13 by the NMR technique. The strong intensity modulation along QH in x=0 gradually evolves into a Q-independent feature in x>11. This could be attributed to the localized Cu moment magnetism developing into an itinerant magnetism with increasing x. It is a surprise that the spin gap persists in the normal state of this spin ladder system with metallic behaviour, which evidences the possibility of magnetically-mediated carrier pairing mechanism in a two-leg spin ladder lattice., Comment: 17 pages, 6 figures

The local structure and electronic properties of Rb$_{1-x}$Fe$_{2-y}$Se$_2$ are investigated by means of site selective polarized x-ray absorption spectroscopy at the iron and selenium K-edges as a function of pressure. A combination of dispersive geometry and novel nanodiamond anvil pressure-cell has permitted to reveal a step-like decrease in the Fe-Se bond distance at $p\simeq11$ GPa. The position of the Fe K-edge pre-peak, which is directly related to the position of the chemical potential, remains nearly constant until $\sim6$ GPa, followed by an increase until $p\simeq 11$ GPa. Here, as in the local structure, a step-like decrease of the chemical potential is seen. Thus, the present results provide compelling evidence that the origin of the reemerging superconductivity in $A_{1-x}$Fe$_{2-y}$Se$_2$ in vicinity of a quantum critical transition is caused mainly by the changes in the electronic structure.

Discovery of new high TC superconductors, with TC > 23 K, continues to be challenging. We have doubled the existing TC of single crystal Sr3Ca11Cu24O41, a spin ladder cuprate, from 12K to 24K, using a gentle uniaxial pressure ~ 0.06 GPa. In contrast, earlier works used a nearly 100 times larger hydrostatic pressure 5 GPa, only to reach a maximum TC ~ 12K. Our work exposes large and nearly equal, but opposing contributions to changes in TC, arising from compressions along and perpendicular to ladder planes, in hydrostatic pressure experiments. In our resistivity measurements, uniaxial pressure applied along ladder planes increase TC, while that perpendicular to ladder planes decrease TC. Our findings i) offers a new hope for further increase in TC in spin ladder compounds and ii) calls for a large shift in phase boundaries of the currently accepted pressure-temperature phase diagram., Comment: 5 figures and 24 pages

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, that 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 Landau potential. A generic phase diagram mapping observed structures is proposed on the basis of the parameterization., Comment: 22 pages, 15 figures

The effect of pressure on the copper and praseodymium magnetic order in the system Nd(1-x)$Pr(x)Ba2Cu3$O7 with x=0.3, 0.5, 0.7, and 1 was investigated by means of the muon spin rotation (muSR) technique. It was found that the effect of pressure on the Neel temperatures of both copper and praseodymium is positive for the whole range of Pr concentrations (0.3

We report the low-temperature electronic and magnetic properties of the alkali metal-organic solvent intercalated iron selenide superconductor Lix(C5H5N)yFe2-zSe using muon-spin-spectroscopy measurements. The zero-field \muSR results indicate that nearly half of the sample is magnetically ordered and there is a spatial phase separation between the superconducting and the magnetic fraction. The transverse-field \muSR results show that the temperature dependence of the penetration depth \lambda(T) in the mixed state of Lix(C5H5N)yFe2-zSe can be explained using a two-gap s+s-wave model with gap values of 6.82(92) and 0.93(7) meV. This implies that the symmetry of the superconducting gap in this system remains unaltered to the parent compound FeSe even after the intercalation with the molecular spacer layer. We obtain \lambda (0) = 485(21) nm at T = 0 K., Comment: 3 figures, 2 tables

The magnetic properties of Fe1.03Te under hydrostatic pressure up to p ~ 5.7 GPa were investigated by means of muon spin rotation, dc magnetization, and neutron depolarization measurements. With increasing pressure the antiferromagnetic ordering temperature TN decreases continuously from 70 K at ambient pressure towards higher pressures. Surprisingly, the commensurate antiferromagnetic order of FeTe enters a region of incommensurate and dynamical magnetic order before at p ~ 1.7 GPa the system turns ferromagnetic. The ferromagnetic ordering temperature TC increases with increasing pressure.

An extended study of the superconducting and normal-state properties of various as-grown and post-annealed RbxFe2-ySe2 single crystals is presented. Magnetization experiments evidence that annealing of RbxFe2-ySe2 at 413 K, well below the onset of phase separation Tp=489 K, neither changes the magnetic nor the superconducting properties of the crystals. In addition, annealing at 563 K, well above Tp, suppresses the superconducting transition temperature Tc and leads to an increase of the antiferromagnetic susceptibility accompanied by the creation of ferromagnetic impurity phases, which are developing with annealing time. However, annealing at T=488K=Tp increases Tc up to 33.3 K, sharpens the superconducting transition, increases the lower critical field, and strengthens the screening efficiency of the applied magnetic field. Resistivity measurements of the as-grown and optimally annealed samples reveal an increase of the upper critical field along both crystallographic directions as well as its anisotropy. Muon spin rotation and scanning transmission electron microscopy experiments suggest the coexistence of two phases below Tp: a magnetic majority phase of Rb2Fe4Se5 and a non-magnetic minority phase of Rb0.5Fe2Se2. Both microscopic techniques indicate that annealing the specimens just at Tp does not affect the volume fraction of the two phases, although the magnetic field distribution in the samples changes substantially. This suggests that the microstructure of the sample, caused by mesoscopic phase separation, is modified by annealing just at Tp, leading to an improvement of the superconducting properties of RbxFe2-ySe2 and an enhancement of Tc., Comment: 13 pages, 12 figures

We report neutron inelastic scattering measurements on the normal and superconducting states of single-crystalline Cs0.8Fe1.9Se2. Consistent with previous measurements on Rb(x)Fe(2-y)Se2, we observe two distinct spin excitation signals: (i) spin-wave excitations characteristic of the block antiferromagnetic order found in insulating A(x)Fe(2-y)Se2 compounds, and (ii) a resonance-like magnetic peak localized in energy at 11 meV and at an in-plane wave vector of (0.25, 0.5). The resonance peak increases below Tc = 27 K, and has a similar absolute intensity to the resonance peaks observed in other Fe-based superconductors. The existence of a magnetic resonance in the spectrum of Rb(x)Fe(2-y)Se2 and now of Cs(x)Fe(2-y)Se2 suggests that this is a common feature of superconductivity in this family. The low energy spin-wave excitations in Cs0.8Fe1.9Se2 show no measurable response to superconductivity, consistent with the notion of spatially separate magnetic and superconducting phases., Comment: 7 pages, 5 figures. v2 corrects a misquoted numerical value in text