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The Markov chain Monte Carlo (MCMC) method is widely used in various fields as a powerful numerical integration technique for systems with many degrees of freedom. In MCMC methods, probabilistic state transitions can be considered as a random walk in state space, and random walks allow for sampling from complex distributions. However, paradoxically, it is necessary to carefully suppress the randomness of the random walk to improve computational efficiency. By breaking detailed balance, we can create a probability flow in the state space and perform more efficient sampling along this flow. Motivated by this idea, practical and efficient nonreversible MCMC methods have been developed over the past ten years. In particular, the lifting technique, which introduces probability flows in an extended state space, has been applied to various systems and has proven more efficient than conventional reversible updates. We review and discuss several practical approaches to implementing nonreversible MCMC methods, including the shift method in the cumulative distribution and the directed-worm algorithm., (© 2024 Author(s). Published under an exclusive license by AIP Publishing.)

Intercalation of guest ions into a van der Waals (vdW) gap in layered materials is a powerful route to create novel material phases and functionalities. Ionic gating is a technique to control the motions and configuration of ions for both intercalation and surface electrostatic doping. The advance of ionic gating enables the in probe of dynamics of ion diffusion, carrier doping, and transport properties. Here we performed situ resistivity and Raman experiments on the potassium ion (K in ) intercalation of single-crystal MoS situ and constructed a temperature-carrier density phase diagram. The K + -intercalation induces a structural transition from the prismatically coordinated phase to the octahedrally coordinated phase, where anisotropic three-dimensional superconductivity and a possible charge density wave state were observed. The present ionic gating offers a comprehensive view of the intercalated phases and proves that the electrostatically induced superconductivity is distinct from that in the intercalated phase.2 and constructed a temperature-carrier density phase diagram. The K + -intercalation induces a structural transition from the prismatically coordinated phase to the octahedrally coordinated phase, where anisotropic three-dimensional superconductivity and a possible charge density wave state were observed. The present ionic gating offers a comprehensive view of the intercalated phases and proves that the electrostatically induced superconductivity is distinct from that in the intercalated phase.

In 2022, we reported that the β″-(BEDT-TTF) 2 ClC 2 H 4 SO 3 salt ( 1 ) has a phase transition at 210 K on cooling and 260 K on heating, which was suggested as a nondoped-to-doped transition. During the synthesis of 1 , a second salt was coproduced, the structure and properties of which are reported here. The new salt β″-β″-(BEDT-TTF) 2 ClC 2 H 4 SO 3 ( 2 ) has the same composition and is isomorphous to 1L , the low-temperature phase of 1 . However, the salt shows no phase transition. 1H , the high-temperature phase of 1 , displays rotational disorders of the -SO 3 groups. In contrast, the anions in - have no rotational disorders but have orientational disorders. Approximately 13% of the anions in 2 have their orientation as opposed to the remaining anions. The geometrically calculated shortest O···O distance is 2.24 Å if neighbor -SO 2 groups are able to rotate freely. This is 1.1 Å shorter than the sum of the van der Waals radii, and therefore, this is too close to allow free rotation. Therefore, it is proposed that 3 - groups are able to rotate freely. This is 1.1 Å shorter than the sum of the van der Waals radii, and therefore, this is too close to allow free rotation. Therefore, it is proposed that 2 has no rotational disorder, which leads to no phase transition as is observed in 1 .

In noncentrosymmetric superconductors, superconducting and normal conductions can interchange on the basis of the current flow direction. This effect is termed a superconducting diode effect (SDE), which is a focal point of recent research. The broken inversion and time-reversal symmetry is believed to be the requirements of SDE, but their intrinsic role has remained elusive. Here, we report strain-controlled SDEs in a layered trigonal superconductor, PbTaSe 2 . The SDE was found exclusively in a strained device with its absence in an unstrained device despite that it is allowed in unstrained trigonal structure. Moreover, the zero-field or magnetic field-even (magnetic field-odd) SDE is observed when the strain and current are along armchair (zigzag) direction The results unambiguously demonstrate the intrinsic SDE under time-reversal symmetry and the critical role of strain-induced electric polarization.

Van-der-Waals magnetic materials can be exfoliated to realize ultrathin sheets or interfaces with highly controllable optical or spintronics responses. In majority, these are collinear ferro-, ferri-, or antiferromagnets, with a particular scarcity of lattice-incommensurate helimagnets of defined left- or right-handed rotation sense, or helicity. Here, we report polarized neutron scattering experiments on DyTe 3 , whose layered structure has highly metallic tellurium layers separated by double-slabs of dysprosium square nets. We reveal cycloidal (conical) magnetic textures, with coupled commensurate and incommensurate order parameters, and probe the evolution of this ground state in a magnetic field. The observations are well explained by a one-dimensional spin model, with an off-diagonal on-site term that is spatially modulated by DyTe 3 's unconventional charge density wave (CDW) order. The CDW-driven term couples to antiferromagnetism, or to the net magnetization in an applied magnetic field, and creates a complex magnetic phase diagram indicative of competing interactions in this easily cleavable van-der-Waals helimagnet., (© 2024. The Author(s).)

Mn-based magnets are known to be a candidate for use as rare-earth-free magnets. In this study, Mn-Ga bulk magnets were successfully produced by hot pressing using the spark plasma sintering method on Mn-Ga powder prepared from rapidly solidified Mn-Ga melt-spun ribbons. When consolidated at 773 K and 873 K, the Mn-Ga bulk magnets had fine grains and exhibited high coercivity values. The origin of the high coercivity of the Mn-Ga bulk magnets was the existence of the D0 22 phase. The Mn-Ga bulk magnet consolidated at 873 K exhibited the highest coercivity of 6.40 kOe.

Molecular-based magnetoelectric materials are among the most promising materials for next-generation magnetoelectric memory devices. However, practical application of existing molecular systems has proven difficult largely because the polarization change is far lower than the practical threshold of the ME memory devices. Herein, we successfully obtained an [FeCo] dinuclear complex that exhibits a magnetic field-induced spin crossover process, resulting in a significant polarization change of 0.45 μC cm -2 . Mössbauer spectroscopy and theoretical calculations suggest that the asymmetric structural change, coupled with electron redistribution, leads to the observed polarization change. Our approach provides a new strategy toward rationally enhancing the polarization change.

Bose-Einstein condensation (BEC) in quantum magnets, where bosonic spin excitations condense into ordered ground states, is a realization of BEC in a thermodynamic limit. Although previous magnetic BEC studies have focused on magnets with small spins of S ≤ 1, larger spin systems potentially possess richer physics because of the multiple excitations on a single site level. Here, we show the evolution of the magnetic phase diagram of S = 3/2 quantum magnet Ba 2 CoGe 2 O 7 when the averaged interaction J is controlled by a dilution of magnetic sites. By partial substitution of Co with nonmagnetic Zn, the magnetic order dome transforms into a double dome structure, which can be explained by three kinds of magnetic BECs with distinct excitations. Furthermore, we show the importance of the randomness effects induced by the quenched disorder: we discuss the relevance of geometrical percolation and Bose/Mott glass physics near the BEC quantum critical point., (© 2023. The Author(s).)

The detection of elementary carriers in transport phenomena is one of the most important keys to understand nontrivial properties of strongly correlated quantum matter. Here, we propose a method to identify the tunneling current carrier in strongly interacting fermions from nonequilibrium noise in the Bardeen-Cooper-Schrieffer to Bose-Einstein condensate crossover. The noise-to-current ratio, the Fano factor, can be a crucial probe for the current carrier. Bringing strongly correlated fermions into contact with a dilute reservoir produces a tunneling current in between. The associated Fano factor increases from one to two as the interaction becomes stronger, reflecting the fact that the dominant conduction channel changes from the quasiparticle tunneling to the pair tunneling., (© The Author(s) 2023. Published by Oxford University Press on behalf of National Academy of Sciences.)

It has become common knowledge that phonons can generate thermal Hall effect in a wide variety of materials, although the underlying mechanism is still controversial. We study longitudinal κ xx and transverse κ xy thermal conductivity in Pr 2 Ir 2 O 7 , which is a metallic analog of spin ice. Despite the presence of mobile charge carriers, we find that both κ xx and κ xy are dominated by phonons. A T/H scaling of κ xx unambiguously reveals that longitudinal heat current is substantially impeded by resonant scattering of phonons on paramagnetic spins. Upon cooling, the resonant scattering is strongly affected by a development of spin ice correlation and κ xx deviates from the scaling in an anisotropic way with respect to field directions. Strikingly, a set of the κ xx and κ xy data clearly shows that κ xy correlates with κ xx in its response to magnetic field including a success of the T/H scaling and its failure at low temperature. This remarkable correlation provides solid evidence that an indispensable role is played by spin-phonon scattering not only for hindering the longitudinal heat conduction, but also for generating the transverse response., (© 2022. The Author(s).)

We investigated the superconductivity of (TMTTF) 2 TaF 6 (TMTTF: tetramethyl-tetrathiafulvalene) by conducting resistivity measurements under high pressure up to 8 GPa. A cubic anvil cell (CAC) pressure generator, which can produce hydrostatic high-pressure, was used for this study. Since the generalized temperature-pressure ( T - P ) diagram of (TMT C F) 2 X ( C = Se, S, X : monovalent anion) based on (TMTTF) 2 PF 6 ( T = 15 K) was proposed by Jérome, exploring superconductivity states using high-pressure measurement beyond 4 GPa has been required to confirm the universality of the electron-correlation variation under pressure in (TMTTF) CO = 70 K and spin-Peierls: SP, T SP , which has the largest octahedral-symmetry counter anion TaF 2 in the (TMTTF) X series, possesses the highest charge-ordering (CO) transition temperature ( 2 TaF 6 , which has the largest octahedral-symmetry counter anion TaF 6 = 9 K) at ambient pressure. A superconducting state in (TMTTF) 2 X emerged after a metal-insulator transition was suppressed with increasing external pressure. We discovered a superconducting state in 5 ≤ T CO = 2.1 K to 2.8 K, whose pressure range is one-third narrower than that of 2 X and demonstrates an anti-ferromagnetic transition ( T ≤ 9 GPa). In addition, when the pressures with maximum SC temperatures are compared between the PF AF and the TaF 2 TaF 6 emerged after a metal-insulator transition was suppressed with increasing external pressure. We discovered a superconducting state in 5 ≤ P has a 0.75 GPa on the negative pressure side in the T c phase diagram of (TMTTF) X = SbF 6 (5.4 ≤ P ≤ 9 GPa). In addition, when the pressures with maximum SC temperatures are compared between the PF 6 and the TaF 6 salts, we found that (TMTTF) 2 TaF 6 has a 0.75 GPa on the negative pressure side in the T - P phase diagram of (TMTTF) 2 PF 6 .

While anomalous Hall effect (AHE) has been extensively studied in the past, efforts for realizing large Hall response have been mainly limited within intrinsic mechanism. Lately, however, a theory of extrinsic mechanism has predicted that magnetic scattering by spin cluster can induce large AHE even above magnetic ordering temperature, particularly in magnetic semiconductors with low carrier density, strong exchange coupling, and finite spin chirality. Here, we find out a new magnetic semiconductor EuAs, where Eu 2+ ions with large magnetic moments form distorted triangular lattice. In addition to colossal magnetoresistance, EuAs exhibits large AHE with an anomalous Hall angle of 0.13 at temperatures far above antiferromagnetic ordering. As also demonstrated by model calculations, observed AHE can be explained by the spin cluster scattering in a hopping regime. Our findings shed light on magnetic semiconductors hosting topological spin textures, developing a field targeting diluted carriers strongly coupled to noncoplanar spin structures.

Microbial rhodopsins are diverse photoreceptive proteins containing a retinal chromophore and are found in all domains of cellular life and are even encoded in genomes of viruses. These rhodopsins make up two families: type 1 rhodopsins and the recently discovered heliorhodopsins. These families have seven transmembrane helices with similar structures but opposing membrane orientation. Microbial rhodopsins participate in a portfolio of light-driven energy and sensory transduction processes. In this review we present data collected over the last two decades about these rhodopsins and describe their diversity, functions, and biological and ecological roles.

We report the critical current density ( J ) and vortex pinning properties in single crystals of a novel iron-based superconductor (IBS) KCa c ) and vortex pinning properties in single crystals of a novel iron-based superconductor (IBS) KCa 2 Fe 4 As 4 F 2 in the pristine state, before and after introduction of artificial defects by swift-particle irradiation. The effects of 2.6 GeV U and 3 MeV proton irradiations in KCa J c in the pristine state, before and after introduction of artificial defects by swift-particle irradiation. The effects of 2.6 GeV U and 3 MeV proton irradiations in KCa 2 Fe 4 As 4 F 2 single crystals on transition temperature T c under a self-field at 2 K in the pristine crystal is strongly enhanced up to 19.4 and 17.5 MA/cm J by irradiation of 2.6 GeV U-ions and 3 MeV protons, respectively. Suppression of c and dose dependence of J c ~8 MA/cm 2 under a self-field at 2 K in the pristine crystal is strongly enhanced up to 19.4 and 17.5 MA/cm 2 by irradiation of 2.6 GeV U-ions and 3 MeV protons, respectively. Suppression of T is different from that in a representative IBS of (Ba,K)Fe c and dose dependence of J , which can be explained by considering the presence of embedded defects in pristine KCa c in KCa 2 Fe 4 As 4 . The vortex dynamics in the pristine and proton irradiated KCa 2 is different from that in a representative IBS of (Ba,K)Fe 2 As 2 , which can be explained by considering the presence of embedded defects in pristine KCa 2 single crystals are also investigated from the analyses of the field dependence of 4 and the normalized magnetic relaxation rate. In addition to the contribution of embedded defects, weak collective pinning is considered for comprehensive analyses. Vortex dynamics in KCa 4 F 2 . The vortex dynamics in the pristine and proton irradiated KCa 2 Fe 4 As 4 F 2 single crystals are also investigated from the analyses of the field dependence of J c OHFeSe. Large anisotropy, due to the presence of insulating blocking layers in KCa 2 Fe 4 As 4 F 2 is similar to those in (Ba,K)Fe 2 ) compared with 122-type IBSs, strongly affect the vortex dynamics.2 to some extent, and different from that in anisotropic Li 0.8 Fe 0.2 OHFeSe. Large anisotropy, due to the presence of insulating blocking layers in KCa 2 Fe 4 As 4 F 2 , which leads to much lower irreversibility field ( H irr ) compared with 122-type IBSs, strongly affect the vortex dynamics.

We present our exhaustive exploration of the densest ternary sphere packings (DTSPs) for 45 radius ratios and 237 kinds of compositions, which is a packing problem of three kinds of hard spheres with different radii, under periodic boundary conditions by a random structure searching method. To efficiently explore DTSPs we further develop the searching method based on the piling-up and iterative balance methods [Koshoji et al., Phys. Rev. E 103, 023307 (2021)2470-004510.1103/PhysRevE.103.023307]. The unbiased exploration identifies diverse 38 putative DTSPs appearing on phase diagrams in which 37 DTSPs of them are discovered in the study. The structural trend of DTSPs changes depending especially on the radius of small spheres. In case that the radius of small spheres is relatively small, structures of many DTSPs can be understood as derivatives of densest binary sphere packings (DBSPs), while characteristic structures specific to the ternary system emerge as the radius of small spheres becomes larger. In addition to DTSPs, we reveal a lot of semi-DTSPs (SDTSPs) which are obtained by excluding DBSPs in the calculation of phase diagram, and investigate the correspondence of DTSPs and SDTSPs with real crystals based on the space group, showing a considerable correspondence of SDTSPs having high symmetries with real crystals including Cu_{2}GaSr and ThCr_{2}Si_{2} structures. Our study suggests that the diverse structures of DBSPs, DTSPs, and SDTSPs can be effectively used as structural prototypes for searching complex crystal structures.

We explore the physics of novel fermion liquids emerging from conducting networks, where 1D metallic wires form a periodic 2D superstructure. Such structure naturally appears in marginally twisted bilayer graphenes, moire transition metal dichalcogenides, and also in some charge-density wave materials. For these network systems, we theoretically show that a remarkably wide variety of new non-Fermi liquids emerge and that these non-Fermi liquids can be classified by the characteristics of the junctions in networks. Using this, we calculate the electric conductivity of the non-Fermi liquids as a function of temperature, which show markedly different scaling behaviors than a regular 2D Fermi liquid.

We have developed a new calorimeter for measuring the thermodynamic properties in pulsed magnetic fields. Instrumental design is described along with the instrument construction details, including the sensitivity of a RuO 2 thermometer. Operation of the calorimeter is demonstrated by measuring the heat capacity of three samples: pure germanium, CeCu 2 Ge 2 , and κ-(BEDT-TTF) 2 Cu[N(CN) 2 ]Br, in pulsed fields up to 43.5 T. Obtaining field stability is key in measuring high-resolution heat capacity under pulsed fields. We also examine the performance of the calorimeter by employing two measurement techniques: the quasi-adiabatic and dual-slope techniques. We demonstrate that the calorimeter developed in this study is capable of performing high-resolution calorimetry in pulsed magnetic fields, which opens the door to new opportunities for high-field thermodynamic studies.

The interplay between charge order and d-wave superconductivity in high-[Formula: see text] cuprates remains an open question. While mounting evidence from spectroscopic probes indicates that charge order competes with superconductivity, to date little is known about the impact of charge order on charge transport in the mixed state, when vortices are present. Here we study the low-temperature electrical resistivity of three distinctly different cuprate families under intense magnetic fields, over a broad range of hole doping and current excitations. We find that the electronic transport in the doping regime where long-range charge order is known to be present is characterized by a nonohmic resistivity, the identifying feature of an anomalous vortex liquid. The field and temperature range in which this nonohmic behavior occurs indicates that the presence of long-range charge order is closely related to the emergence of this anomalous vortex liquid, near a vortex solid boundary that is defined by the excitation current in the [Formula: see text] 0 limit. Our findings further suggest that this anomalous vortex liquid, a manifestation of fragile superconductivity with a suppressed critical current density, is ubiquitous in the high-field state of charge-ordered cuprates., Competing Interests: The authors declare no competing interest., (Copyright © 2021 the Author(s). Published by PNAS.)

We revisit the densest binary sphere packings (DBSPs) under periodic boundary conditions and present an updated phase diagram, including newly found 12 putative densest structures over the x-α plane, where x is the relative concentration and α is the radius ratio of the small and large spheres. To efficiently explore the DBSPs, we develop an unbiased random search approach based on both the piling-up method to generate initial structures in an unbiased way and the iterative balance method to optimize the volume of a unit cell while keeping the overlap of hard spheres minimized. With those two methods, we have discovered 12 putative DBSPs and thereby the phase diagram is updated, while our results are consistent with those of a previous study [Hopkins et al., Phys. Rev. E 85, 021130 (2012)]PLEEE81539-375510.1103/PhysRevE.85.021130 with a small correction for the case of 12 or fewer spheres in the unit cell. Five of the discovered 12 DBSPs are identified in the small radius range of 0.42≤α≤0.50, where several structures are competitive to each other with respect to packing fraction. Through the exhaustive search, diverse dense packings are discovered and, accordingly, we find that packing structures achieve high packing fractions by introducing distortion and/or combining a few local dense structural units. Furthermore, we investigate the correspondence of the DBSPs with crystals based on the space group. The result shows that many structural units in real crystals, e.g., LaH_{10} and SrGe_{2-δ} being high-pressure phases, can be understood as DBSPs. The correspondence implies that the densest sphere packings can be used effectively as structural prototypes for searching complex crystal structures, especially for high-pressure phases.

We show theoretically and experimentally that accurate transport measurements are possible even within the short time provided by pulsed magnetic fields. For this purpose, a new method has been devised, which removes the noise component of a specific frequency from the signal by taking a linear combination of the results of numerical phase detection using multiple integer periods. We also established a method to unambiguously determine the phase rotation angle in AC transport measurements using a frequency range of tens of kilohertz. We revealed that the dominant noise in low-frequency transport measurements in pulsed magnetic fields is the electromagnetic induction caused by mechanical vibrations of wire loops in inhomogeneous magnetic fields. These results strongly suggest that accurate transport measurements in short-pulsed magnets are possible when mechanical vibrations are well suppressed.

Although tremendous efforts have been devoted to the structural analysis and understanding of the toughness of latex films, in which soft elastomer microspheres are interpenetrated, a method to quantitatively analyze the mixing of polymer chains at the microsphere surface, i.e., delocalization of hydrophilic charged group on the polymer chains by aging, has not yet been established. In this study, small-angle X-ray scattering was applied to characterize latex films by assuming a pseudo-two-phase system, which consists of an average-electron density microsphere core and a high-electron density interphase between the microsphere interfaces due to localized charged groups. The thus obtained parameter, i.e., the characteristic interfacial thickness ( t ), quantitatively reflects the degree of mixing of polymer chains on the microsphere surface. We found that inter is strongly correlated to the fracture energy of the latex films. The proposed analysis method for the microscopic mixing of polymers on the microsphere surface in the film can thus be expected to shed light on design guidelines for industrial latex films and on the understanding of the mechanical properties of such films.t inter is strongly correlated to the fracture energy of the latex films. The proposed analysis method for the microscopic mixing of polymers on the microsphere surface in the film can thus be expected to shed light on design guidelines for industrial latex films and on the understanding of the mechanical properties of such films.

Krokinobacter rhodopsin 2 (KR2) serves as a light-driven sodium ion pump in the presence of sodium ion and works as a proton pump in the presence of larger monovalent cations such as potassium ion, rubidium ion, and cesium ion. Recent crystallographic studies revealed that KR2 forms a pentamer and possesses an ion binding site at the subunit interface. It is assumed that sodium ion bound at this binding site is not transported but contributes to the thermal stability. Because KR2 can convert its function in response to coexisting cation species, this ion binding site is likely to be involved in ion transport selectively. However, how sodium ion binding affects the structure of the retinal chromophore, which plays a crucial role in ion transport, remains poorly understood. Here, we observed the structure of the retinal chromophore under a wide range of cation concentrations using visible absorption and resonance Raman spectroscopy. We discovered that the hydrogen bond formed between the Schiff base of the retinal chromophore and its counterion, Asp116, is weakened upon binding of sodium ion. This allosteric communication between the Schiff base and the ion binding site at the subunit interface likely increases the apparent efficiency of sodium ion transport. In addition, this study demonstrates the significance of sodium ion binding: even though sodium ion is not transported, binding regulates the structure around the Schiff base and stabilizes the oligomeric structure.

Paired-like homeobox gene Phox2b is predominantly expressed in pre-inspiratory neurons in the parafacial respiratory group (pFRG) in newborn rat rostral ventrolateral medulla. To analyse detailed local networks of the respiratory centre using optogenetics, the effects of selective activation of Phox2b-positive neurons in the ventral medulla on respiratory rhythm generation were examined in brainstem-spinal cord preparations isolated from transgenic newborn rats with Phox2b-positive cells expressing channelrhodopsin variant ChRFR(C167A). Photostimulation up to 43 s increased the respiratory rate > 200% of control, whereas short photostimulation (1.5 s) of the rostral pFRG reset the respiratory rhythm. At the cellular level, photostimulation depolarised Phox2b-positive pre-inspiratory, inspiratory and respiratory-modulated tonic neurons and Phox2b-negative pre-inspiratory neurons. In contrast, changes in membrane potential of Phox2b-negative inspiratory and expiratory neurons varied depending on characteristics of ongoing synaptic connections in local respiratory networks in the rostral medulla. In the presence of tetrodotoxin, photostimulation depolarised Phox2b-positive cells, but caused no significant changes in membrane potential of Phox2b-negative cells. We concluded that depolarisation of Phox2b-positive neurons was due to cell-autonomous photo-activation and summation of excitatory postsynaptic potentials, whereas membrane potential changes of Phox2b-negative neurons depended on the network configuration. Our findings shed further light on local networks among respiratory-related neurons in the rostral ventrolateral medulla and emphasise the important role of pre-inspiratory neurons in respiratory rhythm generation in the neonatal rat en bloc preparation.

The dynamics of colloidal gel particle suspensions, i.e., microgel suspensions, has been investigated by dynamic light scattering (DLS) over a wide concentration range from the (I) dilute (φ < φcp) to the (II) intermediate (φ ≈ φcp) and (III) high concentration regions (φ ≫ φcp), where φ and φcp are the volume fraction of the gel particles in the suspension and the random close packing fraction, φcp ≈ 0.64, respectively. The time-intensity correlation function exhibited a distinct change with increasing φ, i.e., from ergodic behaviour (region I and II) to nonergodic behaviour (region III). A mode transition from translational (region I) to cooperative diffusion (the so-called gel mode) (region II) was also observed due to the soft and deformable nature of the microgels. Different from the dynamics of hard colloidal glass suspensions, the gel mode remained even at φ ≫ φcp. By using the ensemble-averaged time-correlation function, IE, we quantify the relationship between φ and their dynamics, and show that the soft microgels are deswollen in the densely packed state.

Heliorhodopsins (HeRs) are a new category of retinal-bound proteins recently discovered through functional metagenomics analysis that exhibit obvious differences from type-1 microbial rhodopsins. We conducted the first detailed structural characterization of the retinal chromophore in HeRs using resonance Raman spectroscopy. The observed spectra clearly show that the Schiff base of the chromophore is protonated and forms a strong hydrogen bond to a species other than a water molecule, highly likely a counterion residue. The vibrational mode of the Schiff base of HeRs exhibits similarities with that of photosensory microbial rhodopsins, that is consistent with the previous proposal that HeRs function as photosensors. We also revealed unusual spectral features of the in-plane chain vibrations of the chromophore, suggesting an unprecedented geometry of the Schiff base caused by a difference in the retinal pocket structure of HeRs. These data demonstrate structural characteristics of the photoreceptive site in this novel type of rhodopsin family.

A clear thermal Hall signal (κ&#95;{xy}) was observed in the spin-liquid phase of the S=1/2 kagome antiferromagnet Ca kapellasite [CaCu&#95;{3}(OH)&#95;{6}Cl&#95;{2}·0.6H&#95;{2}O]. We found that κ&#95;{xy} is well reproduced, both qualitatively and quantitatively, using the Schwinger-boson mean-field theory with the Dzyaloshinskii-Moriya interaction of D/J∼0.1. In particular, κ&#95;{xy} values of Ca kapellasite and those of another kagome antiferromagnet, volborthite, converge to one single curve in simulations modeled using Schwinger bosons, indicating a common temperature dependence of κ&#95;{xy} for the spins of a kagome antiferromagnet.

The interplay between superconductivity and magnetism is one of the oldest enigmas in physics. Usually, the strong exchange field of ferromagnet suppresses singlet superconductivity via the paramagnetic effect. In EuFe 2 (As 0.79 P 0.21 ) 2 , a material that becomes not only superconducting at 24.2 K but also ferromagnetic below 19 K, the coexistence of the two antagonistic phenomena becomes possible because of the unusually weak exchange field produced by the Eu subsystem. We demonstrate experimentally and theoretically that when the ferromagnetism adds to superconductivity, the Meissner state becomes spontaneously inhomogeneous, characterized by a nanometer-scale striped domain structure. At yet lower temperature and without any externally applied magnetic field, the system locally generates quantum vortex-antivortex pairs and undergoes a phase transition into a domain vortex-antivortex state characterized by much larger domains and peculiar Turing-like patterns. We develop a quantitative theory of this phenomenon and put forth a new way to realize superconducting superlattices and control the vortex motion in ferromagnetic superconductors by tuning magnetic domains-unprecedented opportunity to consider for advanced superconducting hybrids.

We perform de Haas-van Alphen (dHvA) measurements of the heavy-fermion superconductor CeCoIn&#95;{5} down to 2 mK above the upper critical field. We find that the dHvA amplitudes show an anomalous suppression, concomitantly with a shift of the dHvA frequency, below the transition temperature T&#95;{n}=20  mK. We suggest that the change is owing to magnetic breakdown caused by a field-induced antiferromagnetic (AFM) state emerging below T&#95;{n}, revealing the origin of the field-induced quantum critical point (QCP) in CeCoIn&#95;{5}. The field dependence of T&#95;{n} is found to be very weak for 7-10 T, implying that an enhancement of AFM order by suppressing the critical spin fluctuations near the AFM QCP competes with the field suppression effect on the AFM phase. We suggest that the appearance of a field-induced AFM phase is a generic feature of unconventional superconductors, which emerge near an AFM QCP, including CeCoIn&#95;{5}, CeRhIn&#95;{5}, and high-T&#95;{c} cuprates.

We investigate the role of the quartic anharmonicity in the lattice dynamics and thermal transport of the type-I clathrate Ba&#95;{8}Ga&#95;{16}Ge&#95;{30} based on ab initio self-consistent phonon calculations. We show that the strong quartic anharmonicity of rattling guest atoms causes the hardening of vibrational frequencies of low-lying optical modes and thereby affects calculated lattice thermal conductivities κ&#95;{L} significantly, resulting in an improved agreement with experimental results including the deviation from κ&#95;{L}∝T^{-1} at high temperature. Moreover, our static simulations with various different cell volumes shows a transition from crystal-like to glasslike κ&#95;{L} around 20 K. Our analyses suggest that the resonance dip of κ&#95;{L} observed in clathrates with large guest free spaces is attributed mainly to the strong three-phonon scattering of acoustic modes along with the presence of higher-frequency dispersive optical modes.

A well known semiconductor Cd 3 As 2 has reentered the spotlight due to its unique electronic structure and quantum transport phenomena as a topological Dirac semimetal. For elucidating and controlling its topological quantum state, high-quality Cd 3 As 2 thin films have been highly desired. Here we report the development of an elaborate growth technique of high-crystallinity and high-mobility Cd 3 As 2 films with controlled thicknesses and the observation of quantum Hall effect dependent on the film thickness. With decreasing the film thickness to 10 nm, the quantum Hall states exhibit variations such as a change in the spin degeneracy reflecting the Dirac dispersion with a large Fermi velocity. Details of the electronic structure including subband splitting and gap opening are identified from the quantum transport depending on the confinement thickness, suggesting the presence of a two-dimensional topological insulating phase. The demonstration of quantum Hall states in our high-quality Cd 3 As 2 films paves a road to study quantum transport and device application in topological Dirac semimetal and its derivative phases.

Dirac and Weyl semimetals with linearly crossing bands are the focus of much recent interest in condensed matter physics. Although they host fascinating phenomena, their physics can be understood in terms of weakly interacting electrons. In contrast, more than 40 years ago, Abrikosov pointed out that quadratic band touchings are generically strongly interacting. We have performed terahertz spectroscopy on the films of the conducting pyrochlore Pr 2 Ir 2 O 7 , which has been shown to host a quadratic band touching. A dielectric constant as large as [Formula: see text] is observed at low temperatures. In such systems, the dielectric constant is a measure of the relative scale of interactions, which are therefore in our material almost two orders of magnitude larger than the kinetic energy. Despite this, the scattering rate exhibits a T 2 dependence, which shows that for finite doping a Fermi liquid state survives-however, with a scattering rate close to the maximal value allowed.

A distinct thermal Hall signal is observed in a quantum spin liquid candidate Ba&#95;{3}CuSb&#95;{2}O&#95;{9}. The transverse thermal conductivity shows a power-law temperature dependence below 50 K, where a spin gap opens. We suggest that because of the very low longitudinal thermal conductivity and the thermal Hall signals, a phonon Hall effect is induced by strong phonon scattering of orphan Cu^{2+} spins formed in the random domains of the Cu^{2+}-Sb^{5+} dumbbells in Ba&#95;{3}CuSb&#95;{2}O&#95;{9}.

A general method is presented to calculate absolute binding energies of core levels in metals and insulators, based on a penalty functional and an exact Coulomb cutoff method in the framework of density functional theory. The spurious interaction of core holes between supercells is avoided by the exact Coulomb cutoff method, while the variational penalty functional enables us to treat multiple splittings due to chemical shift, spin-orbit coupling, and exchange interaction on equal footing, both of which are not accessible by previous methods. It is demonstrated that the absolute binding energies of core levels for both metals and insulators are calculated by the proposed method in a mean absolute (relative) error of 0.4 eV (0.16%) for eight cases compared to experimental values measured with x-ray photoemission spectroscopy within a generalized gradient approximation to the exchange-correlation functional.

The widespread popularity of density functional theory has given rise to an extensive range of dedicated codes for predicting molecular and crystalline properties. However, each code implements the formalism in a different way, raising questions about the reproducibility of such predictions. We report the results of a community-wide effort that compared 15 solid-state codes, using 40 different potentials or basis set types, to assess the quality of the Perdew-Burke-Ernzerhof equations of state for 71 elemental crystals. We conclude that predictions from recent codes and pseudopotentials agree very well, with pairwise differences that are comparable to those between different high-precision experiments. Older methods, however, have less precise agreement. Our benchmark provides a framework for users and developers to document the precision of new applications and methodological improvements., (Copyright © 2016, American Association for the Advancement of Science.)

We study the orbital angular momentum (OAM) L&#95;{z} in two-dimensional chiral (p&#95;{x}+ip&#95;{y})^{ν}-wave superfluids (SFs) of N fermions on a disk at zero temperature, in terms of spectral asymmetry and spectral flow. It is shown that L&#95;{z}=νN/2 for any integer ν, in the Bose-Einstein condensation regime. In contrast, in the BCS limit, while the OAM is L&#95;{z}=N/2 for the p+ip-wave SF, for chiral SFs with ν≥2, the OAM is remarkably suppressed as L&#95;{z}=N×O(Δ&#95;{0}/ϵ&#95;{F})≪N, where Δ&#95;{0} is the gap amplitude and ϵ&#95;{F} is the Fermi energy. We demonstrate that the difference between the p+ip-wave SF and the other chiral SFs in the BCS regimes originates from the nature of edge modes and related depairing effects.

We investigate the role of rattling guest atoms on the lattice thermal conductivity of a type-I clathrate Ba&#95;{8}Ga&#95;{16}Ge&#95;{30} by first-principles lattice dynamics. Comparing phonon properties of filled and empty clathrates, we show that rattlers cause tenfold reductions in the relaxation time of phonons by increasing the phonon-phonon scattering probability. Contrary to the resonant scattering scenario, the reduction in the relaxation time occurs in a wide frequency range, which is crucial for explaining the unusually low thermal conductivities of clathrates. We also find that the impact of rattlers on the group velocity of phonons is secondary because the flattening of phonon dispersion occurs only in a limited phase space in the Brillouin zone.

A high-speed polarizing microscope system combined with a 37 T pulse magnet has been developed. This system was applied to successfully visualize the field-induced collapse of charge-orbital ordering in a layered manganite La(1/2)Sr(3/2)MnO(4). Quantitative analyses of the obtained polarizing microscope images provided clear evidence of this transition in contrast to rather moderate changes in magnetization and magnetoresistance. The ability of this system to carry out quantitative analysis was further tested through the observation of Faraday rotation in a Tb(3)Ga(5)O(12) crystal. The Verdet constant determined from the polarizing images is in reasonable agreement with that in literature. Local intensity analyses of the images indicate that we can investigate magneto-optical signals within an accuracy of 0.85% in an area of 9.6 x 9.6 microm(2).

Optical conductivity [sigma(omega)] of YbS has been measured under pressure up to 20 GPa. Below 8 GPa, sigma(omega) is low since YbS is an insulator with an energy gap between a fully occupied 4f state and an unoccupied conduction (c) band. Above 8 GPa, however, sigma(omega) increases dramatically, developing a Drude component due to heavy carriers and characteristic infrared peaks. It is shown that increasing pressure has caused an energy overlap and hybridization between the c band and 4f state, thus driving the initially ionic and insulating YbS into a correlated metal with heavy carriers.