The 50 most-cited articles in Journal of the Physical Society of Japan, 2022

Harmonic, quasi-harmonic, and anharmonic phonon properties of crystals are getting to be better predicted using firstprinciples phonon calculations by virtue of the progress of the calculation methods and increasing computer power.In this review, basic formulae of phonon properties are reviewed with the phonon calculation examples performed using the phonon calculation codes, phonopy and phono3py, combined with the first-principles calculations.The computational workflow to utilize the first-principles phonon calculation is straightforward and its automation is of great interest to science.Therefore, a few practical applications of the automated first-principles phonon calculations are also presented.

This paper introduces persistent homology, which is a powerful tool to characterize the shape of data using the mathematical concept of topology. We explain the fundamental idea of persistent homology from scratch using some examples. We also review some applications of persistent homology to materials researches and software for persistent homology data analysis. HomCloud, one of persistent homology software, is especially featured in this paper.

We report the first observation of the de Haas-van Alphen (dHvA) effect in the novel spin-triplet superconductor UTe2 using high quality single crystals with the high residual resistivity ratio (RRR) over 200. The dHvA frequencies, named alpha and beta, are detected for the field directions between c and a-axes. The frequency of branch beta increases rapidly with the field angle tilted from c to a-axis, while branch alpha splits, owing to the maximal and minimal cross-sectional areas from the same Fermi surface. Both dHvA branches, alpha and beta reveal two kinds of cylindrical Fermi surfaces with a strong corrugation at least for branch alpha. The angular dependence of the dHvA frequencies is in very good agreement with that calculated by the generalized gradient approximation (GGA) method taking into account the on-site Coulomb repulsion of U = 2 eV, indicating the main Fermi surfaces are experimentally detected. The detected cyclotron effective masses are large in the range from 32 to 57 m0 . They are approximately 10-20 times lager than the corresponding band masses, consistent…

Tensor networks (TNs) have become one of the most essential building blocks for various fields of theoretical physics such as condensed matter theory, statistical mechanics, quantum information, and quantum gravity. This review provides a unified description of a series of developments in the TN from the statistical mechanics side. In particular, we begin with the variational principle for the transfer matrix of the 2D Ising model, which naturally leads us to the matrix product state (MPS) and the corner transfer matrix (CTM). We then explain how the CTM can be evolved to such MPS-based approaches as density matrix renormalization group (DMRG) and infinite time-evolved block decimation. We also elucidate that the finite-size DMRG played an intrinsic role for incorporating various quantum information concepts in subsequent developments in the TN. After surveying higher-dimensional generalizations like tensor product states or projected entangled pair states, we describe tensor renormalization groups (TRGs), which are a fusion of TNs and Kadanoff-Wilson type real-space renormalization…

A skyrmion crystal (SkX) expressed as a multiple number of spiral modulations manifests itself not only in its peculiar magnetic texture but also in nontrivial transport properties originating from an emergent magnetic field. We here report our numerical results for multiple SkXs in a centrosymmetric tetragonal crystal system. By performing simulated annealing for an effective spin model for itinerant magnets, we find that three types of the SkXs with the skyrmion numbers of one and two, which are characterized by different superpositions of helices, are stabilized in the ground state, and are transformed by an external magnetic field. The essence of the emergent multiple SkXs is lied in itinerant frustration where exchange interactions are competed in momentum space due to the nature of itinerant electrons.

This study investigates the spin susceptibility in U-based superconductor UTe$_2$ in the superconducting (SC) state by using Knight shift measurements for a magnetic field $H$ along the $a$ axis, which is the magnetic easy axis of UTe$_2$. Although a tiny anomaly ascribed to the SC diamagnetic effect was observed just below the SC transition temperature $T_{\rm c}$, the $a$-axis Knight shift in the SC state shows no significant decrease, following the extrapolation from the normal-state temperature dependence. This indicates that the spin susceptibility is nearly unchanged below $T_{\rm c}$. Considering the previous Knight shift results for $H \parallel b$ and $H \parallel c$, the dominant SC state is determined to be $B_{\rm 3u}$ in the spin-triplet pairing, which is consistent with the spin anisotropy in the normal state. The present result shows that UTe$_2$ is a spin-triplet superconductor with spin degrees of freedom.

An electric ferro-axial moment, which is characterized by a nonzero expectation value of a time-reversal-even axial vector, exhibits distinct spatial-inversion and time-reversal properties from conventional ferroelectric, ferromagnetic, and ferro-magnetoelectric orders. Nevertheless, physical properties characteristic of the electric ferro-axial moment have been obscure owing to the absence of its conjugate electromagnetic fields. We theoretically investigate consequences of the presence of the ferro-axial moment on the basis of the symmetry and microscopic model analyses. We show that atomic-scale electric toroidal multipoles are the heart of the ferro-axial moment, which act as a nanometric rotator against external stimuli. Furthermore, we propose an intrinsic generation of a spin current parallel to an applied electric field in both metals and insulators. Our results not only provide a deep microscopic understanding of the role of the ferro-axial moment but also stimulate a new development for functional materials with use of the electric toroidal moment.

Here, the quasielastic barrier distribution of 51V+248Cm was extracted by measuring the excitation function of quasielastic backscattering using a gas-filled recoil ion separator, GARIS-III. The obtained barrier distribution is well explained by the coupled-channels calculation, indicating a significant effect of the rotational excitation of deformed 248Cm. From the measured average Coulomb barrier height and deformation parameters of 248Cm, the side-collision energy leading to a compact configuration of colliding nuclei was obtained. The relation between the side collision energy and the excitation function of the evaporation-residue cross sections in the 48Ca+248Cm system was evaluated as a reference for the 51V+248Cm case. The optimal reaction energy to synthesize a new element 119 at the 51V+248Cm fusion reaction (3n and 4n channels) was estimated with an aid of these experimental data.

We performed $^{75}$As-NMR measurements to investigate the normal-state magnetic properties of CeRh$_2$As$_2$, a recently-discovered heavy-fermion superconductor. The magnitude and temperature dependence of the Knight shift at the As(2) site indicate easy-plane-type magnetic anisotropy in CeRh$_2$As$_2$. With regard to spin fluctuations, the temperature dependence of the nuclear spin-lattice relaxation rate $1/T_1$ arising from the 4$f$ electrons decreases from high-temperature constant behavior on cooling at $\sim$ 40~K, which is typical behavior of heavy-fermion systems. In addition, $1/T_1$ becomes constant at low temperatures, suggesting spatially two-dimensional antiferromagnetic fluctuations. Two-dimensional magnetic correlations in the real space are quite rare among heavy-fermion superconductors, and they may be a key factor in the unique superconducting multi-phase in CeRh$_2$As$_2$.

We present an experimental system for Rydberg tweezer arrays with ytterbium (Yb) atoms featuring internal state manipulation between the ground ${}^1$S$_0$ and the metastable ${}^3$P$_2$ states, and single-photon excitation from the ${}^3$P$_2$ to Rydberg states. In the experiments, single Yb atoms are trapped in two-dimensional arrays of optical tweezers and are detected by fluorescence imaging with the intercombination ${}^1$S$_0 \leftrightarrow {}^3$P$_1$ transition, and the defect-free single atom arrays are prepared by the rearrangement with the feedaback. We successfully perform high-resolution ${}^1$S$_0\leftrightarrow {}^3$P$_2$ state spectroscopy for the single atoms, demonstrating the utilities of this ultranarrow transition. We further perform single-photon excitation from the ${}^3$P$_2$ to Rydberg states for the single atoms, which is a key for the efficient Rydberg excitation. We also perform a systematic measurement of a complex energy structure of a series of D states including newly observed ${}^3$D$_3$ states. The developed system shows feasibility of future…

$^{125}$Te NMR experiments in field ($H$) applied along the easy magnetization axis (the $a$-axis) revealed slow electronic dynamics developing in the paramagnetic state of UTe$_2$. The observed slow fluctuations are concerned with a successive growth of long-range electronic correlations below 30$-$40 K, where the spin susceptibility along the hard magnetization axis (the $b$-axis) shows a broad maximum. The experiments also imply that tiny amounts of disorder or defects locally disturb the long-range electronic correlations and develop an inhomogeneous electronic state at low temperatures, leading to a low temperature upturn observed in the bulk-susceptibility in $H\|a$. We suggest that UTe$_2$ would be located on the paramagnetic side near an electronic phase boundary, where either magnetic or Fermi-surface instability would be the origin of the characteristic fluctuations.

The Kitaev quantum spin liquid (QSL) on the two-dimensional honeycomb lattice epitomizes an entangled topological state, where the spins fractionalize into Majorana fermions. This state has aroused tremendous interest because it harbors non-Abelian anyon excitations. The half-integer quantized thermal Hall (HIQTH) conductance observed in $α$-RuCl$_3$ is a key signature of these excitations. However, the fate of this topologically nontrivial state at intense fields remains largely elusive. Here, we report the thermal conductivity $κ$ and specific heat $C$ of $α$-RuCl$_3$ with in-plane magnetic fields $H$. For the field direction perpendicular to the Ru-Ru bond, where the HIQTH effect is observed, we find a discontinuous jump in $κ(H)$ and a peak anomaly in $C(H)$ at $μ_0H^*\approx11$\,T, evidencing a weak first-order phase transition. Remarkably, the HIQTH effect vanishes close to $H^*$. Furthermore, we find that the spin-fractionalization feature is retained well above $H^\ast$. These imply the emergence of the phase transition that separates two QSL phases with distinct topological…

We report our theoretical results on spin conductivity in antiferromagnets by focusing on the role of the magnetic toroidal quadrupole (MTQ) in electron systems. The MTQ is characterized as a time-reversal-odd rank-2 polar tensor degree of freedom in electrons, which is distinct from conventional rank-1 magnetic and magnetic toroidal dipoles. Based on a microscopic $sd$ model analysis for a tetragonal system under both collinear and noncollinear antiferromagnetic orderings, we clarify that the MTQ becomes a source of an extrinsic spin conductivity even with neither a uniform magnetization nor spin-orbit coupling. We also list all the magnetic point groups to accommodate the MTQs as a primary order parameter as well as the candidate antiferromagnetic materials.

The Toda lattice is a model of nonlinear wave equations allowing exact soliton solutions. It is realized by an electric circuit made of a transmission line with variable capacitance diodes and inductors. It has been generalized to the dimerized Toda lattice by introducing alternating bondings specified by a certain parameter $λ$, where it is reduced to the Toda lattice at $λ=0$. In this work, we investigate the topological dynamics of the voltage along the transmission line. It is demonstrated numerically that the system is topological for $λ<0$, while it is trivial for $λ>0$ with the phase transition point given by the original Toda lattice ($λ=0$). These topological behaviors are well explained by the chiral index familiar in the Su-Schrieffer-Heeger model. The topological phase transition is observable by a significant difference between the dynamics of voltages in the two phases, which is explained by the emergence of the topological edge states. This is a bulk-edge correspondence in nonlinear systems. The dimerized Toda lattice is adiabaticaly connected to a linear system,…

We have performed X-ray diffraction experiments on a single crystalline CeCoSi to investigate the unresolved ordered phase below $T_0 \sim 12$ K. We have discovered that a triclinic lattice distortion takes place below $T_0$, which is further modified in the subsequent antiferromagnetic ordered phase. The structural domains can be selected by applying a magnetic field, indicating that some electronic ordering exists behind and affects the magnetic anisotropy in the hidden ordered phase below $T_0$. The transition at $T_0$, although the order parameter is still unknown, is associated with the maximum in the $c$-axis lattice parameter. In magnetic fields along $[1, 0, 0]$, the structural transition temperature, named as $T_{\text{s1}}$, deviates from $T_0$ and decreases with increasing the field, whereas $T_0$ increases. This shows that the hidden ordered phase without triclinic distortion exists between $T_{\text{s1}}$ and $T_0$. The results for $H \parallel [1, 1, 0]$ are also reported.

X-ray fluorescence holography (XFH) is a powerful local structural analysis technique that can be used to visualize the three-dimensional atomic arrangement around a specific element in materials. This paper reviews XFH studies from the viewpoint of "hyper-ordered structures" embedded in various materials, such as magnetic, structural, superconducting, thermoelectric, and biological materials. It has been shown that XFH is a useful technique to observe the hyper-ordered structures in crystals, which are closely related to the functions of materials. In addition, potential targets of XFH including the hyper-ordered structures are suggested as a topics in future studies.

Icosahedral quasicrystals (QCs), which are long-range ordered materials featuring a symmetry incompatible with translational invariance, have received a revived interest since the observation of their non-Fermi liquid (FL) behaviors, owing to an interest in the strong correlation effects developing in quasiperiodic structures. Herein, we review the progress in our understanding of magnetism in QCs, with an emphasis on the comparison with approximant crystals (ACs) and heavy fermions (HFs). ACs are solids that possess similar local structures (clusters) as QCs but form a periodic array of clusters, and HFs are periodic crystals showing a strong electron correlation effect (e.g., the Kondo effect) and unconventional quantum criticality. Topics discussed in this review lie at the crossroads of two fundamental enterprises (i.e., QCs and HFs) in condensed matter physics. Therefore, the fundamentals of QC structures and the basic notions of HF physics are introduced for readers who are unfamiliar with either QCs or HFs. According to a recent cutting-edge experiment, the mean valence of Yb…

In this work, we show that the CuAl2-type superconductor CoZr2 and alloyed systems exhibit anomalous thermal expansion in a wide temperature range. We performed neutron powder diffraction and X-ray powder diffraction on CoZr2 and observed remarkably anisotropic thermal expansion with a c-axis negative thermal expansion constant of αc < -15 μK-1 in a wide temperature range of T = 50-573 K. With decreasing temperature, the lattice constant a decreases, while the lattice constant c continuously increases in CoZr2. The origin of the anisotropic shrinkage/expansion of the a-axis/c-axis by cooling is explained by the small change in the Co-Zr bond and the systematic decrease in the Zr-Co-Zr angle. Similar thermal expansion was observed in alloyed systems, (Fe,Co,Ni)Zr2 and (Fe,Co,Ni,Rh,Ir)Zr2, which suggests that the phenomenon is common feature in the TrZr2 system. We propose that zero-thermal expansion metals would be achieved by optimizing the contrasting thermal expansion of a-axis and c-axis in TrZr2.

We propose a new mechanism of nonlinear nonreciprocal transport in magnetic systems. By considering a noncoplanar magnetic ordering on a bilayer triangular lattice, we clarify that a local scalar chirality degree of freedom is a source of nonreciprocal transport, which does not require any relativistic spin-orbit coupling, net scalar chirality, and net magnetization. We show a close relationship between the asymmetric band modulation and the nonreciprocal transport under the noncoplanar magnetic ordering based on the model-parameter dependences in the real-space picture.

We develop a framework for first-principles calculations of the transport properties of magnetic materials at finite temperatures within the coherent potential approximation. First, we calculate the grand potential by the tight-binding linearized muffin-tin orbital method and apply it to the Kubo formula to obtain the temperature dependence of the conductivities. Next, we demonstrate the computation for the magnetic moments M(T), longitudinal and transverse electrical conductivities, σxx(T), σxy(T), Seebeck coefficients Sxx(T), and anomalous Nernst coefficients Nxy(T) of Co2MnAl of both L21 and B2 structures. It is found that σxx(T) of L21 and B2 structures exhibit slow relaxation with temperature compared with most transition metal alloys, which reflects a transition of the system from a half-metallic to metallic system with increasing temperature. The σxy(T = 0) of the B2 structure is much smaller than that of the L21 structure, while σxx(T) of the B2 structure exhibits slower relaxation with temperature than the L21 structure. The Sxx(T) and Nxy(T) exhibit nonmonotonic variation…

We conducted the first-principles calculations for the temperature dependence of magnetic anisotropy energy K(T) for L10-type FePt, MnAl, and FeNi by using the coherent potential approximation for spin transverse fluctuation. The temperature dependence of magnetocrystalline anisotropy (MA) for FePt and MnAl almost follows the relation K(T) ∼ M(T)n (2 < n < 3) [M(T) is the magnetization], which has been suggested to be reproduced using the XXZ spin model, i.e., the Heisenberg model including the two-site anisotropy term \( - \sum\nolimits_{\langle ij\rangle }D_{ij} S_{i}^{z}S_{j}^{z}\). However, the temperature dependence of MA for FeNi cannot be fitted by the simple relation K(T) ∼ M(T)n. To analyze these results, we examined MA by using the XXZ spin model including the single-site anisotropy term \( - \sum\nolimits_{i}D_{i} (S_{i}^{z})^{2}\) with the mean field approximation. We confirm that the results from first-principles calculations are well explained by this spin model. We believe that the first-principles result for FeNi is the first case that can be reproduced using the…

The hedgehog lattice (HL) is a three-dimensional topological spin texture hosting a periodic array of magnetic monopoles and antimonopoles. It has been studied theoretically for noncentrosymmetric systems with the Dzyaloshinskii-Moriya interaction, but the stability, as well as the magnetic and topological properties, remains elusive in the centrosymmetric case. We here investigate the ground state of an effective spin model with long-range bilinear and biquadratic interactions for a centrosymmetric cubic metal by simulated annealing. We show that our model stabilizes a HL composed of two pairs of left- and right-handed helices, resulting in no net scalar spin chirality, in stark contrast to the noncentrosymmetric case. We find that the HL turns into topologically-trivial conical states in an applied magnetic field. From the detailed analyses of the constituent spin helices, we clarify that the ellipticity and angles of the helical planes change gradually while increasing the magnetic field. We discuss the results in comparison with the experiments for a centrosymmetric cubic metal…

The link between the metamagnetic transition and novel spin-triplet superconductivity of UTe$_2$ was discussed thermodynamically through magnetostriction measurements in a pulsed-magnetic field. We revealed a discontinuous magnetostriction across the metamagnetic transition at $μ_0H_{\rm m}\approx 35$~T for the applied magnetic fields along the crystallographic $b$ axis in the orthorhombic structure. The resultanting volume magnetostriction of $ΔV/V \approx-5.9\times 10^{-4}$ gives the initial pressure dependence of $H_{\rm m}$ by employing the Clausius-Clapeyron's equation, which agrees with previous pressure experiments. Further, significant anisotropic magnetostriction (AMS), derived by subtracting the averaged linear magnetostriction, was revealed. Contrary to the weakly field-dependent AMS along the $a$ axis, those along the $b$ and $c$ axes show strong field dependences with a similar magnitude but with opposite signs, indicating its lattice instability. The relationship between characteristic energy scales of magnetic fields and temperatures was discussed in terms of the…

Many densely packed oxide glasses with no or few network former oxides have recently been synthesized using a levitation technique. They attract attention because of their characteristic glass structures with high packing density, and unusual and exceptional functionalities. The atomic arrangements of the glasses without network former oxides invariably comprise various structural units such as four-, five-, or six-coordinated polyhedra that connect each other with corner-, edge- or face-sharing. Complete fragmentation of regular tetrahedral networks is achieved in glasses with few network former oxides. These are quite different from conventional oxide glasses that consist of regular corner-sharing tetrahedral networks. In densely packed oxide glasses, corner-sharing tetrahedral networks are no longer the most important structural variables for glass formation. In this review, the results of structural investigations for several glasses synthesized by the containerless method using a levitation technique are summarized. The relationship between the glass-forming ability and the…

We investigate the quantum effect on machine learning (ML) models exemplified by the Generative Adversarial Network (GAN), which is a promising deep learning framework. In the general GAN framework the generator maps uniform noise to a fake image. In this study, we utilize the Associative Adversarial Network (AAN), which consists of a standard GAN and an associative memory. Further, we set a Boltzmann Machine (BM), which is an undirected graphical model that learns low-dimensional features extracted from a discriminator, as the memory. Owing to difficulty calculating the BM's log-likelihood gradient, it is necessary to approximate it by using the sample mean obtained from the BM, which has tentative parameters. To calculate the sample mean, a Markov Chain Monte Carlo (MCMC) is often used. In a previous study, this was performed using a quantum annealer device, and the performance of the "Quantum" AAN was compared to that of the standard GAN. However, its better performance than the standard GAN is not well understood. In this study, we introduce two methods to draw samples:…

An excitonic insulator, in which an optical gap is formed by exciton condensation, is expected to exhibit large photoresponses. Here, we report the results of femtosecond reflection spectroscopy covering a wide infrared region on a typical excitonic insulator, Ta2NiSe5, which gives direct information not only about a change of excitonic gap but also a metallization. With a weak excitation, the excitonic gap decreases due to the weakening of excitonic effect by photocarriers. With a strong excitation, a Drude-like high-reflection band appears, showing an excitonic-insulator-to-metal transition. Analyses of spectral and temporal changes of reflectivity revealed that the metallization is accompanied by large structural changes. This demonstrates an important role of electron–lattice interaction on the stabilization of excitonic phase.

We theoretically investigate an antiferromagnetic structure in a hexagonal zigzag-chain compound Ce$_3$TiBi$_5$, which shows a linear magnetoelectric effect in metals and an unfamiliar temperature dependence of magnetic susceptibility. We find a partial magnetic order as a coexistence of a nonmagnetic zigzag chain and staggered antiferromagnetic zigzag chains. The latter accompany in-plane magnetic toroidal dipole moments which are responsible for the observed behaviors. We show that magnetic frustration arising from competing exchange interactions plays an important role to realize such a partial magnetic order. Furthermore, we present the important spin-orbit coupling parameters to induce the physical phenomena driven by the magnetic toroidal dipole moment, such as the linear magnetoelectric effect and nonlinear transport.

X-ray photoelectron diffraction (XPD) has developed into a powerful technique for the structural analysis of solids. Extension of the technique into the hard-X-ray range (hXPD)gives access to true bulk information.Here we give a status report on hXPD experiments using a novel full-field imaging technique: Time-of-flight momentum microscopy (ToF-MM).A special variant of ToF-MM is capable of recording high kinetic energies (up to >7 keV) and enlarged kfields-of-view.We present applications that are specific for high kinetic energies.The strong site specificity of hXPD is exemplified for NbSe 2 , the cubic-to-tetragonal transition in SrTiO 3 and the zinc-blende structure in epitaxial GaAs films.Bloch-wave calculations show a very good agreement with experiment and reveal fingerprint-like signatures of emitter sites in host lattices.We show a dopant-site analysis in two semiconductors (Mn in GaAs and Te in Si).Hard-X-ray ARPES plus core-level hXPD enable eliminating the strong diffraction signature imprinted in HARPES maps.

On the basis of the Kubo-Luttinger linear response theory combined with the scaling theory of Anderson localization predicting the energy dependence of localization length near the mobility edge, we have studied the thermoelectric response of a disordered system exhibiting Mott variable-range hopping (VRH). We found that the low-tempetature Seebeck coefficient for VRH conduction in a $d$-dimensional system varies as $S\propto T^{d/(d+1)}$, which is different from the widely used expression, $S\propto T^{(d-1)/(d+1)}$, based on the energy-independent localization length. It is seen that the low-$T$ behavior of $S(T)$ of the thiospinel CuCrTiS$_4$ is in full agreement with the new scheme.

Unconventional features of the magnetization curve at zero temperature such as plateaus or jumps are a hallmark of frustrated spin systems. Very little is known about their behavior at non-zero temperatures. Here we investigate the temperature dependence of the magnetization curve of the kagome lattice antiferromagnet in particular at 1/3 of the saturation magnetization for large lattice sizes of up to N=48 spins. We discuss the phenomenon of asymmetric melting and trace it back to a combined effect of unbalanced magnetization steps on either side of the investigated plateau as well as on the behavior of the density of states across the plateau. We compare our findings to the square-kagome lattice that behaves similarly at low temperatures at zero field, but as we will demonstrate differently at 1/3 of the saturation magnetization. Both systems possess a flat one-magnon band and therefore share with the class of flat-band systems the general property that the plateau that precedes the jump to saturation melts asymmetrically but now with a minimal susceptibility that bends towards…

Schooling fish exhibit giant rotating clusters such as balls, tori, and rings, among other collective patterns. In order to account for their giantness and flexible shape change, we introduce an agent-based model that limits the number of agents that each agent can interact with (interaction capacity). Incorporating autonomous control of attractive interactions, we reproduce rotating clusters (balls, tori, and rings) that are an order of magnitude larger than the interaction range. We obtained a phase diagram of patterns including polarized schools and swarms. In our model, the scaling law between the number of agents and the projected area of the cluster is in good agreement with experimental results. The model indicates that giant rotating clusters are formed at low interaction capacity, without long-range interactions or inherent chirality of fish.

We propose an Ising machine made of microelectromechanical systems (MEMS), where the annealing process is automatically executed by a dissipation mechanism. The core structure is a series of buckled plates. Two stable positions of each plate (left and right) represent its binary state acting as a bit so that a plate works as a mechanical memory. The electrostatic interaction between adjacent plates is introduced by applying voltage. Plates continue to flip between two stable buckled positions until the series of plates reaches a local minimum due to the damping of the mechanical motion. \red{First, we design Ising machines simulating a ferromagnetic (FM) interaction and an antiferromagnetic (AF) interaction separately. Then, we propose a fully-connected MEMS\ network representing a coexistence system of FM and AF interactions in an arbitrary way, by way of which an arbitrary combinatorial problem described by the Ising model can be solved.} The present mechanism works at room temperature without external magnetic field, which is very different from the standard classical or quantum…

A Ce-based metallic compound CeCoSi with a tetragonal structure exhibits successive phase transitions: the one whose order parameter is unidentified at T_0 = 12 K and the antiferromagnetic one at T_N = 9.4 K. We performed specific heat, magnetoresistivity (MR), and magnetization measurements for a single crystal CeCoSi at low temperatures in magnetic fields B of up to 14 T and constructed detailed magnetic field--temperature phase diagrams for both B || [100] and [001]. The longitudinal MR measured for B || [100] shows a sign change from negative to positive across T_0 = 13 K updated in the present sample, indicating a clear change in an electronic state. In addition, the constructed magnetic phase diagrams for both the field directions have a B-induced region in each ordered state. The presence of the newly found regions would be attributed to a change in the symmetry of the order parameter or domain alignment by applying B.

We investigate the superconductivity of carbon compounds with a sodalite structure, which are similar to hydrogen compounds showing the high-temperature superconductivity. A systematic analysis by first-principles calculations is carried out, including examination of mechanical and dynamic instabilities under external pressure $P$. These instabilities are classified on the phase diagram for the effective doping charge versus the lattice constant of the system. We also present the superconducting transition temperature $T_{\rm c}$ as a function of $P$ for many carbon compounds and a pure carbon system with the sodalite structure. Some of them have $T_{\rm c}$ of up to about 100 K at $P > \sim 30$ GPa, and the results suggest that the sodalite structure of carbon may be a key to producing phonon-mediated high-$T_{\rm c}$ superconductivity.

We investigate magnetic orderings on kagome lattice numerically from the tight-binding Hamiltonian of electrons, governed by the filling factor and spin-orbit coupling (SOC) of electrons. We find that even a simple kagome lattice model can host both ferromagnetic and noncollinear antiferromagnetic orderings depending on the electron filling, reflecting gap structures in the Dirac and flat bands characteristic to the kagome lattice. Kane--Mele- or Rashba-type SOC tends to stabilize noncollinear orderings, such as magnetic spirals and 120-degree antiferromagnetic orderings, due to the effective Dzyaloshinskii--Moriya interaction from SOC. The obtained phase structure helps qualitative understanding of magnetic orderings in various kagome-layered materials with Weyl or Dirac electrons.

Recent improvements in ultra-high magnetic field generation and precise measurement techniques have facilitated the study of the physical properties of magnetic materials under previously unexplored magnetic field regions. This has opened up a new frontier in the study of frustrated magnetism, which has stimulated the exploration of novel phenomena. This review introduces several representative model kagome antiferromagnet materials with classical to quantum spins on a regular and/or distorted structural network and details their physical properties in high magnetic fields. We present various types of magnetization behavior including magnetization plateaus and summarize the magnetic properties of kagome antiferromagnets in magnetic fields.

A lot of attention has been paid to a quantum-sensing network for detecting magnetic fields in different positions. Recently, cryptographic quantum metrology was investigated where the information of the magnetic fields is transmitted in a secure way. However, sometimes, the positions where non-zero magnetic fields are generated could carry important information. Here, we propose an anonymous quantum sensor where an information of positions having non-zero magnetic fields is hidden after measuring magnetic fields with a quantum-sensing network. Suppose that agents are located in different positions and they have quantum sensors. After the quantum sensors are entangled, the agents implement quantum sensing that provides a phase information if non-zero magnetic fields exist, and POVM measurement is performed on quantum sensors. Importantly, even if the outcomes of the POVM measurement is stolen by an eavesdropper, information of the positions with non-zero magnetic fields is still unknown for the eavesdropper in our protocol. In addition, we evaluate the sensitivity of our proposed…

We study the frustrated Ising model on the two-dimensional $L \times L$ square lattice with ferromagnetic (FM) nearest-neighbor and antiferromagnetic diagonal-neighbor interactions using the D-wave quantum annealing machine (D-QAM) with 5000+ qubits composed on structure of the Pegasus graph. As the former Monte Carlo and mean field results, we find the FM to stripe order phase transition, through observations of the magnetization $M$, energy, magnetic susceptibility and structure factor. We also analyze probability which occurs any $M$ at a given interaction for many quantum annealing shots to estimate the shape of objective function $f$. The only one value of $M$ with specific phase is observed in the regions far from phase transition for many quantum annealing shots, while several values of $M$ with different possibilities are appeared in the regimes of phase transition. We guess that $f$ in the regimes of phase transition retains the multi-modal structure with several local minimums, due to the strong degeneracies caused by frustrations. Finally, we discuss fail of the quantum…

Determining the structure-property relations of liquid and amorphous metal oxides is challenging, due to their variable short-range order and polyhedral connectivity. To predict chemically realistic structures, we have developed a Machine Learned, Gaussian Approximation Potential (GAP) for HfO2, with a focus on enhanced sampling of the training database and accurate density functional theory calculations. By using training datasets for the GAP model at the level of Density Functional Theory-Strongly Constrained and Appropriately Normed (DFT-SCAN) level of theory, our results show that the topology of both the low viscosity liquid and the amorphous form are dominated by edge-shared chains and small corner-shared rings of polyhedra. This topology is shown to be consistent with the structure of other liquid and amorphous transition metal oxides of variable ion size, such as TiO2 and ZrO2. Current limitations of the ML-GAP modeling method for obtaining glass structures and future perspectives are also discussed.

Preparing ground states of Hamiltonians is important in the condensed matter physics and the quantum chemistry. The interaction Hamiltonians typically contain not only diagonal but also off-diagonal elements. Although quantum annealing provides a way to prepare a ground state of a Hamiltonian, we can only use the Hamiltonian with Ising interaction by using currently available commercial quantum annealing devices. In this work, we propose a quantum annealing for the XXZ model, which contains both Ising interaction and energy-exchange interaction, by using inductively coupled superconducting flux qubits. The key idea is to use a recently proposed spin-lock quantum annealing where the qubits are driven by microwave fields. As long as the rotating wave approximation is valid, the inductive coupling between the superconducting flux qubits produces the desired Hamiltonian in the rotating frame, and we can use such an interaction for the quantum annealing while the microwave fields driving play a role of the transverse fields. To quantify the performance of our scheme, we implement…

We theoretically investigated magnetocrystalline anisotropy (MA) at a finite temperature $T$ in ferromagnetic metals. Assuming a Rashba-type ferromagnet with uniaxial MA, we defined the MA constants $K_\mathrm{u}(T)$ derived from several different concepts. Our purpose was to examine the equality between them and to confirm a power law between $K_\mathrm{u}(T)$ and magnetization $M(T)$ in the form of $K_\mathrm{u}(T)/K_\mathrm{u}(0)=[M(T)/M(0)]^α$. We demonstrate that $α$ equals 2 in the itinerant-electron limit and increases with the localized feature of electrons passing through $α=3$, predicted for the single-ion MA in spin models.

Systematic errors hinder precise quantum control. Pulse length errors (PLEs) and off-resonance errors (OREs) are typical systematic errors that are encountered during one-qubit control. A composite pulse (CP) can help compensate for the effects of systematic errors during quantum operation. Several CPs that are robust against either PLE or ORE have been identified. However, few attempts have been made to construct CPs that are robust against both errors (bi-robust). We develop a novel bi-robust CP for one-qubit operations by modifying a PLE robust CP, which exhibits a shorter operation time than that of previously developed bi-robust CPs.

Large-scale density functional theory (DFT) calculations provide a powerful tool to investigate the atomic and electronic structure of materials with complex structures. This article reviews a large-scale DFT calculation method, the multi-site support function (MSSF) method, in the CONQUEST code. MSSFs are linear combinations of the basis functions which belong to a group of atoms in a local region. The method can reduce the computational time while preserving accuracy. The accuracy of MSSFs has been assessed for bulk Si, Al, Fe and NiO and hydrated DNA, which demonstrate the applicability of the MSSFs for varied materials. The applications of MSSFs on large systems with several thousand atoms, which have complex interfaces and non-periodic structures, indicate that the MSSF method is promising for precise investigations of materials with complex structures.

X-ray powder diffraction and electrical resistivity measurements were performed on the tetragonal compound CeCoSi under pressure to elucidate the phase boundary of the pressure-induced structural transition and the change in the 4$f$ electronic state. The temperature-pressure phase diagram has been determined from the shift of the Bragg peaks and from the anomaly in the resistivity. The critical pressure, $P_{\rm s}$ $\sim$ 4.9 GPa at 300 K, decreases to $P_{\rm s}$ $\sim$ 3.6 GPa at 10 K. The decrease of $P_{\rm s}$ is due not only to the decrease in volume of the unit cell but also to an anisotropic shrinkage by cooling. When crossing the boundary to the high-pressure phase, the resistivity shows a significant drop to exhibit a metallic temperature dependence. The results of this study strongly suggest that the structural phase transition can be ascribed to valence instability of Ce-$4f$ electron.

Theoretical and experimental studies have supported that the electronic structure of $α$-(BEDT-TTF)$_2$I$_3$ under pressure is described by two-dimensional Dirac fermions. When the interlayer tunneling is coherent, the electronic structure of the system becomes three-dimensional, and we expect the peak structure to appear in the interlayer resistivity under magnetic fields. We theoretically and experimentally show that the peak appears in the interlayer resistivity at low temperatures and high magnetic fields. From the experiment, we estimate that the magnitude of the interlayer tunneling is $t_1 \sim 1$ meV. Our result opens the door to investigating the three-dimensional electronic structure of $α$-(BEDT-TTF)$_2$I$_3$.

We investigate the intrinsic anomalous thermal Hall effect as an effective probe of the order parameters of non-unitary pairing states of the putative spin-triplet superconductor UTe$_2$. We consider all symmetry-allowed non-unitary states under magnetic fields comprehensively, and calculate the anomalous Hall conductivity arising from time-reversal symmetry-breaking Weyl point nodes of the gap functions, assuming three types of Fermi surfaces; ellipsoid-shaped, cylinder-shaped, and ring-shaped ones, which are predicted by previous band calculations. We find the nonzero anomalous thermal Hall conductivity in the certain ratio of the two irreducible representations. The results may be utilized for future exploration of pairing states of UTe$_2$.

Successive magnetic phase transitions at $T_{\text{N}}$=12.2 K, $T_{\text{N}}^{\;\prime}$=7.0 K, and $T_{\text{N}}^{\;*}$=5.0 K in EuIrGe$_3$, an intermetallic compound with a body centered tetragonal lattice belonging to a polar space group $I4mm$, has been investigated by neutron diffraction and resonant X-ray diffraction. It is shown that EuIrGe$_3$ exhibits an incommensurate longitudinal sinusoidal order with $q\sim (0, 0, 0.792)$ and $m_{q} \parallel c\text{-axis}$ in the high temperature phase ($T_{\text{N}}^{\;\prime}< T < T_{\text{N}}$), which changes to a cycloidal order with $q=(δ', 0, 0.8)$ ($δ'\sim 0.017$) and $m_{q} \parallel ac\text{-plane}$ in the intermediate phase ($T_{\text{N}}^{\;*} < T < T_{\text{N}}^{\;\prime}$). In the low temperature phase ($T < T_{\text{N}}^{\;*}$), the cycloidal plane rotates by $45^{\circ}$ to have $q=(δ, δ, 0.8)$ ($δ\sim 0.012$). It is also pointed out that the X-ray scattering amplitude from odd-parity magnetic quadrupole due to the polar environment interfere with that from normal even-parity magnetic dipole in the magnetic ordered phase.

The metal–insulator transition is one of the most fascinating phenomena in condensed-matter physics and has attracted much attention from researchers. It has recently been discovered that W-doped vanadium dioxide (V1−xWxO2) exhibits a magnetic-field-induced insulator–metal transition in a very high magnetic field of 500 T. Electromagnetic flux compression (EMFC) is essential for experiments involving this kind of ultrahigh magnetic field. Experimental findings regarding the field-induced insulator–metal transition in V1−xWxO2 are summarized including new experimental results for pure VO2, and a possible mechanism of the phase transition is discussed. The technical details required for EMFC experiments are also introduced. Promising research themes in ultrahigh magnetic fields of up to 1000 T are proposed as future prospects for ultrahigh magnetic field research at the Institute for Solid State Physics (ISSP).

The one-dimensional Heisenberg antiferromagnet of S = 1 spins is studied by numericaldiagonalization method based on the Lanczos algorithm. The Haldane gap of this system isnumerically estimated from finite-size clusters under the twisted boundary condition up tothe 30-site system. The finite-size results are analyzed by a convergence-acceleration technique; the multistep procedure of the convergence acceleration is successfully carried out.The present estimate for the gap magnitude is more precisely than the previously reportedvalue from a Lanczos-diagonalization study. It also agrees well with the result reported ina study based on the density matrix renormalization group calculation. The present studyclarifies that Lanczos-diagonalization calculations can sufficiently contribute for preciselyestimating an energy gap although this method can treat only small clusters.

Weakly nonlinear propagation of plane pressure waves in flowing compressible water containing many spherical microbubbles is theoretically investigated. Special focus is placed on the thermal conduction inside the bubble and drag force acting on translational bubbles. From the method of multiple scales, the Korteweg–de Vries–Burgers equation is derived and two types of dissipation terms appear: a term with a second-order partial derivative owing to the liquid compressibility and a term without differentiation owing to the drag force and thermal conduction. Finally, we numerically found that the dissipation effect due to the thermal conduction is the largest, followed by that due to the acoustic radiation and drag force.