The 50 most-cited articles in Journal of the Physical Society of Japan, 2018

The topological semimetal is a new, theoretically predicted and experimentally discovered, topological state of matter. In one of its several realizations, the topological semimetal hosts Weyl fermions, elusive particles predicted more than 85 years ago, sought after in high-energy experiments, but only recently found in a condensed-matter setting. In the present review, we catalogue the most recent progress in this fast-developing research field. We give special attention to topological invariants and the material realization of three different types of topological semimetal. We also discuss various photo emission, transport and optical experimental observables that characterize the appearance of topological semimetal phases.

We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory and temperature-dependent phonon frequencies can be calculated efficiently by incorporating recent numerical techniques to estimate anharmonic force constants. The validity of our approach is demonstrated through applications to cubic strontium titanate, where overall good agreements with experimental data are obtained for phonon frequencies and lattice thermal conductivity. We also show the feasibility of highly accurate calculations based on a hybrid exchange-correlation functional within the present framework. Our method provides a new way for studying lattice dynamics in severely anharmonic materials where the standard harmonic approximation and the perturbative approach break down.

Magnetic transition phenomena in cubic chiral antiferromagnet EuPtSi with $T_{\rm N}$=4.0~K were investigated by means of single crystal neutron diffraction. At 0.3~K in the ground state, magnetic peaks emerge at positions represented by an ordering vector ${q}_{1}$=$(0.2, 0.3, 0)$ and its cyclic permutation. Upon heating, an additional magnetic peak splitting with hysteresis was uncovered at around $T^*_{\rm N}{\sim}$2.5~K, indicating the presence of a first-order commensurate-incommensurate transition with ${q}^*_{1}$=$(0.2, 0.3, δ)$ ($δ_{\rm max}{\simeq}$0.04) at $T^*_{\rm N}$. A half-polarized neutron scattering experiment for polarization parallel to the scattering vector revealed that polarization antiparallel to the scattering vector has stronger intensity in both magnetic phases. This feature clarifies the single chiral character of the helical structure with moments lying perpendicular to the ordering vector in both ordered states. Under a vertical magnetic field of 1.2~T for ${B}{\parallel}$[1,1,1] at 1.9~K entering into the so-called $A$ phase, magnetic peaks form…

We present an application of Eliashberg theory of superconductivity to study a set of novel superconducting systems with a wide range of structural and chemical properties. The set includes three intercalated group-IV honeycomb layered structures, SH3at 200 GPa (the superconductor with the highest measured critical temperature), the similar system SeH3at 150 GPa, and a lithium doped mono-layer of black phosphorus. The theoretical approach we adopt is a recently developed, fully ab initio Eliashberg approach that takes into account the Coulomb interaction in a full energy-resolved fashion avoiding any free parameters like μ+. This method provides reasonable estimations of superconducting properties, including TCand the excitation spectra of superconductors.

We present a general formalism of multipole descriptions under the space-time inversion group. We elucidate that two types of atomic toroidal multipoles, i.e., electric and magnetic, are fundamental pieces to express electronic order parameters in addition to ordinary electric and magnetic multipoles. By deriving quantum-mechanical operators for both toroidal multipoles, we show that electric (magnetic) toroidal multipole higher than dipole (monopole) can become a primary order parameter in a hybridized-orbital system. We also demonstrate emergent cross-correlated couplings between electric, magnetic, and elastic degrees of freedom, such as magneto-electric and magneto(electro)-elastic couplings, under toroidal multipole orders.

Strong permanent magnets mainly consist of rare earths ($R$) and transition metals ($T$). The main phase of the neodymium magnet, which is the strongest magnet, is Nd$_2$Fe$_{14}$B. Sm$_{2}$Fe$_{17}$N$_{3}$ is another magnet compound having excellent magnetic properties comparable to those of Nd$_{2}$Fe$_{14}$B. Their large saturation magnetization, strong magnetocrystalline anisotropy, and high Curie temperature originate from the interaction between the $T$-3d electrons and $R$-4f electrons. This article discusses the magnetism of rare-earth magnet compounds. The basic theory and first-principles calculation approaches for quantitative description of the magnetic properties are presented, together with applications to typical compounds such as Nd$_2$Fe$_{14}$B, Sm$_{2}$Fe$_{17}$N$_{3}$, and the recently synthesized NdFe$_{12}$N.

The multipole concept, which characterizes the spacial distribution of scalar and vector objects by their angular dependence, has already become widely used in various areas of physics. In recent years it has become employed to systematically classify the anisotropic distribution of electrons and magnetization around atoms in solid state materials. This has been fuelled by the discovery of several physical phenomena that exhibit unusual higher rank multipole moments, beyond that of the conventional degrees of freedom as charge and magnetic dipole moment. Moreover, the higher rank electric/magnetic multipole moments have been suggested as promising order parameters in exotic hidden order phases. While the experimental investigations of such anomalous phases have provided encouraging observations of multipolar order, theoretical approaches have developed at a slower pace. In particular, a materials' specific theory has been missing. The multipole concept has furthermore been recognized as the key quantity which characterizes the resultant configuration of magnetic moments in a cluster…

The well-known Yukawa and Efimov potentials are two different mediated interaction potentials. The first one arises in quantum field theory from the exchange of virtual particles. The second one is mediated by a real particle resonantly interacting with two other particles. This Letter shows how two impurities immersed in a Bose-Einstein condensate can exhibit both phenomena. For a weak impurity-boson attractive interactionattraction with the condensate, the two impurities form two polarons that interact through a weak Yukawa attraction mediated by virtual excitations. For a resonant attraction with the condensate, the exchanged excitation becomes a real boson and the mediated interaction changes to a strong Efimov attraction that can bind the two polarons. The resulting bipolarons turn into in-medium Efimov trimers made of the two impurities and one boson. Evidence of this physics could be seen in ultracold mixtures of atoms.

Magnetization measurements under direct electric currents were performed for toroidal magnetic ordered state of UNi$_4$B to test a recent theoretical prediction of current-induced magnetization in a metallic system lacking local inversion symmetry.We found that each of the electric currents parallel to [$2\bar{1}\bar{1}0$] and [$0001$] in the hexagonal 4-index notation induces uniform magnetization in the direction of [$01\bar{1}0$].The observed behavior of the induced magnetization is essentially consistent with the theoretical prediction; however it also shows an inconsistency suggesting that the antiferromagnetic state of UNi$_4$B could not simply be regarded as a uniform toroidal order in the ideal honeycomb layered structure.

The topological Hall effect (THE) of electrons coupled to a noncoplanar spin texture has been studied so far for the strong- and weak-coupling regimes separately; the former in terms of the Berry phase and the latter by perturbation theory. In this letter, we present a unified treatment in terms of spin gauge field by considering not only the adiabatic (Berry phase) component of the gauge field but also the nonadiabatic component. While only the adiabatic contribution is important in the strong-coupling regime, it is completely canceled by a part of the nonadiabatic contribution in the weak-coupling regime, where the THE is governed by the remaining nonadiabatic terms. We found a new weak-coupling region that cannot be accessed by a simple perturbation theory, where the Hall conductivity is proportional to M, with 2M being the exchange splitting of the electron spectrum.

We show, for quantum annealing, that a certain type of inhomogeneous driving of the transverse field erases first-order quantum phase transitions in the p-body interacting mean-field-type model with and without longitudinal random field. Since a first-order phase transition poses a serious difficulty for quantum annealing (adiabatic quantum computing) due to the exponentially small energy gap, the removal of first-order transitions means an exponential speedup of the annealing process. The present method may serve as a simple protocol for the performance enhancement of quantum annealing, complementary to non-stoquastic Hamiltonians.

We study ground-state and thermodynamic properties of an $S=1$ Kitaev model. We first clarify the existence of global parity symmetry in addition to the local symmetry on each plaquette, which enables us to perform the large scale calculations up to 24 sites. It is found that the ground state should be singlet and its energy is estimated as $E/N\sim -0.65J$, where $J$ is the Kitaev exchange coupling. We find that a lowest excited state belongs to the same subspace as the ground state and the gap monotonically decreases with increasing system size, which suggests that the ground state of the $S=1$ Kitaev model is gapless. By means of the thermal pure quantum states, we clarify finite temperature properties characteristic of the Kitaev models with $S\le 2$.

General high-order rogue wave solutions for the (1+1)-dimensional Yajima-Oikawa (YO) system are derived by using Hirota's bilinear method and the KP-hierarchy reduction technique. These rogue wave solutions are presented in terms of determinants in which the elements are algebraic expressions. The dynamics of first and higher-order rogue wave are investigated in details for different values of the free parameters. It is shown that the fundamental (first-order) rogue waves can be classified into three different patterns: bright, intermediate and dark ones. The high-order rogue waves correspond to the superposition of fundamental rogue waves. Especially, compared with the nonlinear Schodinger equation, there exists an essential parameter αto control the pattern of rogue wave for both first- and high-order rogue waves since the YO system does not possess the Galilean invariance.

The gap structure of Sr$_2$RuO$_4$, which is a longstanding candidate for a chiral p-wave superconductor, has been investigated from the perspective of the dependence of its specific heat on magnetic field angles at temperatures as low as 0.06 K ($\sim 0.04T_{\rm c}$). Except near $H_{\rm c2}$, its fourfold specific-heat oscillation under an in-plane rotating magnetic field is unlikely to change its sign down to the lowest temperature of 0.06 K. This feature is qualitatively different from nodal quasiparticle excitations of a quasi-two-dimensional superconductor possessing vertical lines of gap minima. The overall specific-heat behavior of Sr$_2$RuO$_4$ can be explained by Doppler-shifted quasiparticles around horizontal line nodes on the Fermi surface, whose in-plane Fermi velocity is highly anisotropic, along with the occurrence of the Pauli-paramagnetic effect. These findings, in particular, the presence of horizontal line nodes in the gap, call for a reconsideration of the order parameter of Sr$_2$RuO$_4$.

As the first step to extend our understanding of higher-derivative theories, within the framework of analytic mechanics of point particles, we construct a ghost-free theory involving third-order time derivatives in Lagrangian. While eliminating linear momentum terms in the Hamiltonian is necessary and sufficient to kill the ghosts associated with higher derivatives for Lagrangian with at most second-order derivatives, we find that this is necessary but not sufficient for the Lagrangian with higher than second-order derivatives. We clarify a set of ghost-free conditions under which we show that the Hamiltonian is bounded, and that equations of motion are reducible into a second-order system.

In topological semimetals such as Weyl, Dirac, and nodal-line semimetals, the band gap closes at points or along lines in k space which are not necessarily located at high-symmetry positions in the Brillouin zone. Therefore, it is not straightforward to find these topological semimetals by ab initio calculations because the band structure is usually calculated only along high-symmetry lines. In this paper, we review recent studies on topological semimetals by ab initio calculations. We explain theoretical frameworks which can be used for the search for topological semimetal materials, and some numerical methods used in the ab initio calculations.

Atomic-resolution holography makes it possible to obtain the three-dimensional (3D) structure around a target atomic site. Translational symmetry of the atomic arrangement of the sample is not necessary, and the 3D atomic image can be measured when the local structure of the target atomic site is oriented. Therefore, 3D local atomic structures such as dopants and adsorbates are observable. Here, the atomic-resolution holography comprising photoelectron holography, X-ray fluorescence holography, neutron holography, and their inverse modes are treated. Although the measurement methods are different, they can be handled with a unified theory. The algorithm for reconstructing 3D atomic images from holograms plays an important role. Although Fourier transform-based methods have been proposed, they require the multiple-energy holograms. In addition, they cannot be directly applied to photoelectron holography because of the phase shift problem. We have developed methods based on the fitting method for reconstructing from single-energy and photoelectron holograms. The developed methods are…

The Dynamical Mean Field Theory (DMFT) in combination with the band structure methods has been able to address reach physics of correlated materials, such as the fluctuating local moments, spin and orbital fluctuations, atomic multiplet physics and band formation on equal footing. Recently it is getting increasingly recognized that more predictive ab-initio theory of correlated systems needs to also address the feedback effect of the correlated electronic structure on the ionic positions, as the metal–insulator transition is almost always accompanied with considerable structural distortions. We will review recently developed extension of merger between the Density Functional Theory (DFT) and DMFT method, dubbed DFT+ embedded DMFT (DFT+eDMFT), whichsuccessfully addresses this challenge. It is based on the stationary Luttinger–Ward functional to minimize the numerical error, it subtracts the exact double-counting of DFT and DMFT, and implements self-consistent forces on all atoms in the unit cell. In a few examples, we will also show how the method elucidated the important feedback…

We propose a K-sparse exhaustive search (ES-K) method and a K-sparse approximate exhaustive search method (AES-K) for selecting variables in linear regression. With these methods, K-sparse combinations of variables are tested exhaustively assuming that the optimal combination of explanatory variables is K-sparse. By collecting the results of exhaustively computing ES-K, various approximate methods for selecting sparse variables can be summarized as density of states. With this density of states, we can compare different methods for selecting sparse variables such as relaxation and sampling. For large problems where the combinatorial explosion of explanatory variables is crucial, the AES-K method enables density of states to be effectively reconstructed by using the replica-exchange Monte Carlo method and the multiple histogram method. Applying the ES-K and AES-K methods to type Ia supernova data, we confirmed the conventional understanding in astronomy when an appropriate K is given beforehand. However, we found the difficulty to determine K from the data. Using virtual measurement…

High-pressure and high-field electron spin resonance (ESR) measurements have been performed on a single crystal of the orthogonal-dimer spin system SrCu$_{2}$(BO$_{3}$)$_{2}$. With frequencies below 1 THz, ESR signals associated with transitions from the singlet ground state to the one-triplet excited states and the two-triplet bound state were observed at pressures up to 2.1 GPa. We obtained directly the pressure dependence of the gap energies, finding a clear first-order phase transition at $P_{c}=1.85\pm0.05$ GPa. By comparing this pressure dependence with the calculated excitation energies obtained from an exact diagonalization, we determined the precise pressure dependence for inter- ($J'$) and intra-dimer ($J$) exchange interactions considering the Dzyaloshinski-Moriya interaction. Thus this system undergoes a first-order quantum phase transition from the dimer singlet phase to a plaquette singlet phase above the ratio $(J'/J)_{c}=0.660\pm0.003$.

X-ray fluorescence holography (XFH) is an atomic structure determination technique that combines the capabilities of X-ray diffraction and X-ray fluorescence spectroscopy. It provides a unique means of gaining fully three-dimensional information about the local atomic structure and lattice site positions of selected elements inside compound samples. In this work, we discuss experimental and theoretical aspects that are essential for the efficient recording and analysis of X-ray fluorescence holograms and review the most recent advances in XFH. We describe experiments performed with brilliant synchrotron radiation as well as with tabletop setups that employ conventional X-ray tubes.

X-ray diffraction measurements on the antiferromagnet EuAl4 using synchrotron radiation have revealed that satellite peaks characterized by an incommensurate wave vector \((0,0,\zeta )\) with ζ ≈ 0.18 appear below 145.1 K, suggesting the formation of a charge density wave. The value of ζ shows an inflection at an antiferromagnetic transition temperature of 15.4 K, and it changes discontinuously at lower antiferromagnetic transition temperatures of 12.2 and 10.0 K. The antiferromagnetic transition at 12.2 K is accompanied by a structural transition from the modulated structure on a tetragonal lattice to that on a lattice with lower symmetry such as an orthorhombic one.

We review recent developments of formulations to calculate the Dzyaloshinskii--Moriya (DM) interaction from first principles. In particular, we focus on three approaches. The first one evaluates the energy change due to the spin twisting by directly calculating the helical spin structure. The second one employs the spin gauge field technique to perform the derivative expansion with respect to the magnetic moment. This gives a clear picture that the DM interaction can be represented as the spin current in the equilibrium within the first order of the spin-orbit couplings. The third one is the perturbation expansion with respect to the exchange couplings and can be understood as the extension of the Ruderman--Kittel--Kasuya--Yosida (RKKY) interaction to the noncentrosymmetric spin-orbit systems. By calculating the DM interaction for the typical chiral ferromagnets Mn$_{1-x}$Fe$_x$Ge and Fe$_{1-x}$Co$_x$Ge, we discuss how these approaches work in actual systems.

Magnetic materials hosting topological spin textures like magnetic skyrmion exhibit nontrivial Hall effect, namely, topological Hall effect (THE). In this study, we demonstrate the emergence of THE in thin films of half-metallic perovskite manganites. To stabilize magnetic skyrmions, we control the perpendicular magnetic anisotropy by imposing a compressive epitaxial strain as well as by introducing a small Ru doping. When the perpendicular magnetic anisotropy is tuned so that it is balanced with the magnetic dipolar interaction, the film exhibits a sizable THE in a magnetization reversal process. Real-space observations indicate the formation of skyrmions and some of them have high topological charge number. The present result opens up the possibility for novel functionalities that emerge under keen competition between the skyrmion phase and other rich phases of perovskite manganites with various orders in spin, charge, and orbital degrees of freedom.

To date the most precise estimations of the critical exponent for the Anderson transition have been made using the transfer matrix method. This method involves the simulation of extremely long quasi one-dimensional systems. The method is inherently serial and is not well suited to modern massively parallel supercomputers. The obvious alternative is to simulate a large ensemble of hypercubic systems and average. While this permits taking full advantage of both OpenMP and MPI on massively parallel supercomputers, a straight forward implementation results in data that does not scale. We show that this problem can be avoided by generating random sets of orthogonal starting vectors with an appropriate stationary probability distribution. We have applied this method to the Anderson transition in the three-dimensional orthogonal universality class and been able to increase the largest $L\times L$ cross section simulated from $L=24$ (New J. Physics, 16, 015012 (2014)) to $L=64$ here. This permits an estimation of the critical exponent with improved precision and without the necessity of…

A machine learning technique to obtain the ground states of quantum few-body systems using artificial neural networks is developed. Bosons in continuous space are considered and a neural network is optimized in such a way that when particle positions are input into the network, the ground-state wave function is output from the network. The method is applied to the Calogero-Sutherland model in one-dimensional space and Efimov bound states in three-dimensional space.

MoS2 is a promising material with microwave absorption performance due to its high dielectric properties and low density. However, pure MoS2 is non-magnetic and has a bad impedance matching characteristic. In this study we prepared the Ni/MoS2 nanocomposites by cladding the MoS2 micrometer slices with magnetic Ni nanoparticles. Our results show that the microwave absorption properties of Ni/MoS2 nanocomposites have been improved obviously compared with the pure MoS2. Because of the introduction of Ni particles, the permeability of the nanocomposites has been turned from one to a complex, indicating a newly added magnetic loss. Meanwhile, the big gap between the permittivity and permeability of the Ni/MoS2 nanocomposites has been properly narrowed, which suggests an improved impedance matching. Moreover, the dielectric Cole–Cole semicircle shows that there are more Debye relaxation processes for the Ni/MoS2 nanocomposites, which further enhances the dielectric loss. Due to its improved electromagnetic properties, the minimum reflection loss (RL) value of the Ni/MoS2 nanocomposites…

We have theoretically investigated the thermoelectric properties of impurity-doped one-dimensional semiconductors, focusing on nitrogen-substituted (N-substituted) carbon nanotubes (CNTs), using the Kubo formula combined with a self-consistent $t$-matrix approximation. N-substituted CNTs exhibit extremely high thermoelectric power factor ($PF$) values originating from a characteristic of one-dimensional materials where decrease in the carrier density increase both the electrical conductivity and the Seebeck coefficient in the low-N regime. The chemical potential dependence of the $PF$ values of semiconducting CNTs has also been studied as a field-effect transistor and it turns out that the $PF$ values show a noticeable maximum in the vicinity of the band edges. This result demonstrates that "band-edge engineering" will be crucial for solid development of high-performance thermoelectric materials.

In order to understand the mechanisms behind the emergence of superconductivity by the chemical pressure effect in REO0.5F0.5BiS2 (RE = La, Ce, Pr, and Nd), where bulk superconductivity is induced by the substitutions with a smaller-radius RE, we performed synchrotron powder X-ray diffraction, and analyzed the crystal structure and anisotropic displacement parameters. With the decrease of the RE3+ ionic radius, the in-plane disorder of the S1 sites significantly decreased, very similar to the trend observed in the Se-substituted systems: LaO0.5F0.5BiS2-xSex and Eu0.5La0.5FBiS2-xSex. Therefore, the emergence of bulk superconductivity upon the suppression of the in-plane disorder at the chalcogen sites is a universal scenario for the BiCh2-based superconductors. In addition, we indicated that the amplitude of vibration along the c-axis of the in-plane chalcogen sites may be related to the Tc in the BiCh2-based superconductors.

We report a comprehensive study on the magnetic and structural properties of the spinel sulfides LiInCr4S8, LiGaCr4S8, and CuInCr4S8, where Li+/Cu+ and Ga3+/In3+ ions form a zinc-blende-type order. On the basis of synchrotron X-ray diffraction and magnetization data obtained using polycrystalline samples, these three sulfides are suggested to be breathing pyrochlore magnets with alternating antiferromagnetic and ferromagnetic interactions on the small and large tetrahedra, respectively. The measured magnetization processes of the three sulfides up to 72 T are significantly different. The magnetization curves of LiInCr4S8 and CuInCr4S8 have large hysteresis loops with different shapes, while there is no hysteresis in that of LiGaCr4S8. Geometrical frustration of the small tetrahedron is likely to give rise to a wide variety of ground states, indicating the rich physics in these antiferromagnetic-ferromagnetic breathing pyrochlore magnets.

The recent reports on 203 K superconductivity in compressed hydrogen sulfide, H$_3$S, has attracted great interest in sulfur-hydrogen system under high pressure. Here, we investigated the superconductivity of P-doped and Cl-doped H$_3$S using the first-principles calculations based on the supercell method, which gives more reliable results on the superconductivity in doped systems than the calculations based on the virtual crystal approximation reported earlier. The superconducting critical temperature is increased from 189 to 212 K at 200 GPa in a cubic $Im\bar{3}m$ phase by the 6.25 % P doping, whereas it is decreased to 161 K by the 6.25 % Cl doping. Although the Cl doping weakens the superconductivity, it causes the $Im\bar{3}m$ phase to be stabilized in a lower pressure region than that in the non-doped H$_3$S.

We analyze the Curie temperatures of rare-earth transition metal binary alloys using machine learning.In order to select important descriptors and descriptor groups, we introduce a newly developed subgroup relevance analysis and adopt hierarchical clustering in the representation.We execute exhaustive search and demonstrate that our approach results in the successful selection of important descriptors and descriptor groups.It helps us to choose the combination of descriptors and to understand the meaning of the selected combination of descriptors.

The S=1/2 triangular- and kagome-lattice Heisenberg antiferromagnets are investigated under a magnetic field using the numerical-diagonalizatio method. A procedure is proposed to extract data points with very small finite-size deviations using the numerical-diagonalization results for capturing the magnetization curve. For the triangular-lattice antiferromagnet, the plateau edge at one-third the height of the saturation and the saturation field are successfully estimated. This study additionally presents results of magnetization process for 45-site cluster of the kagome-lattice antiferromagnet; the present analysis suggests that the plateau does not open at one-ninth the height of the saturation.

We detect the quantum phase transition of a quantum many-body system by mapping the observed results of the quantum state onto a neural network. In the present study, we utilized the simplest case of a quantum many-body system, namely a one-dimensional chain of Ising spins with the transverse Ising model. We prepared several spin configurations, which were obtained using repeated observations of the model for a particular strength of the transverse field, as input data for the neural network. Although the proposed method can be employed using experimental observations of quantum many-body systems, we tested our technique with spin configurations generated by a quantum Monte Carlo simulation without initial relaxation. The neural network successfully classified the strength of transverse field only from the spin configurations, leading to consistent estimations of the critical point of our model $Γ_c =J$.

While key effects of the many-body problem---such as Kondo and Mott physics---can be understood in terms of on-site correlations, non-local fluctuations of charge, spin, and pairing amplitudes are at the heart of the most fascinating and unresolved phenomena in condensed matter physics. Here, we review recent progress in diagrammatic extensions to dynamical mean-field theory for ab initio materials calculations. We first recapitulate the quantum field theoretical background behind the two-particle vertex. Next we discuss latest algorithmic advances in quantum Monte Carlo simulations for calculating such two-particle quantities using worm sampling and vertex asymptotics, before giving an introduction to the ab initio dynamical vertex approximation (AbinitioD$Γ$A). Finally, we highlight the potential of AbinitioD$Γ$A by detailing results for the prototypical correlated metal SrVO$_3$.

The La-substitution and pressure effects on antiferromagnet CeCoSi with a tetragonal crystal structure were investigated in order to clarify the origin of the pressure induced ordered phase (PIOP) with an enormously high transition temperature of T0 ∼ 38 K. By substituting Ce with La, the PIOP shifts to high pressures, and the maximum value of T0 is suppressed, indicating that the PIOP originates from a Ce–Ce interaction. At T0, the magnetic susceptibility exhibits not a cusp, but an increase with decreasing temperature, as is frequently observed in antiferroquadrupolar (AFQ) ordering. Based on these results, we propose that a possible origin of the PIOP is an AFQ ordered phase of Ce-4f electron. Due to the lack of local inversion symmetry at the Ce sites, the AFQ order could be accompanied by odd parity multipolar moments. Since there is no clear evidence of successive transitions below T0, the remaining Kramers degeneracy could be lifted by the Kondo coupling.

The Shastry-Sutherland model --- the $S=1/2$ Heisenberg antiferromagnet on the square lattice accompanied by orthogonal dimerized interactions --- is studied by the numerical-diagonalization method. Large-scale calculations provide results for larger clusters that have not been reported yet. The present study successfully captures the phase boundary between the dimer and plaquette-singlet phases and clarifies that the spin gap increases once when the interaction forming the square lattice is increased from the boundary. Our calculations strongly suggest that in addition to the edge of the dimer phase given by $J_{2}/J_{1}\sim 0.675$ and the edge of the N$\acute{\rm e}$el-ordered phase given by $J_{2}/J_{1}\sim 0.76$, there exists a third boundary ratio $J_{2}/J_{1}\sim 0.70$ that divides the intermediate region into two parts, where $J_{1}$ and $J_{2}$ denote dimer and square-lattice interactions, respectively.

Local three-dimensional (3D) atomic arrangements without periodicity have not been able to be studied until recently. Recently, several holographies and related techniques have been developed to reveal the 3D atomic arrangement around specific atoms with no translational symmetry. This review gives an overview of these new local 3D atomic imaging techniques.

Magnetization plateaus in quantum spin systems emerges in two-dimensional frustrated systems such as kagome lattice. The spin-1/2 antiferromagnetic Heisenberg model on square-kagome lattice is also appropriate for the study of magnetization plateau. Motivated by recent experimental finding of such a square-kagome lattice with nonequivalent three bonds, we investigate the phase diagrams and magnetization plateaus of the lattice by the exact diagonalization method. In addition to previously reported the 1/3 and 2/3 plateaus in the model with two equivalent bonds, we find a new 2/3 plateau whose magnetic structure is characterized by spontaneously broken four-fold rotational symmetry. The plateau appears only in the case of three nonequivalent bonds. We propose the possibility of finding plateaus including the new one.

We report the successful growth of epitaxial thin films of FeSe$_{1-x}$S$_x$ with $x \leq 0.43$ via pulsed laser deposition. As S content increases, the nematic transition temperature, $T_{\mathrm s}$, decreases systematically and the superconducting transition temperature, $T_{\mathrm c}$, shows a gradual decrease even when $x$ exceeds the nematic end point (NEP), similar to bulk samples. A new kink anomaly was observed in the $ρ$-$T$ curves for films with large $x$, which is likely due to a magnetic transition. The obtained phase diagram of FeSe$_{1-x}$S$_x$ thin films is in contrast to that of FeSe$_{1-y}$Te$_y$ films, which shows a rapid increase of $T_{\mathrm c}$ at the NEP. Our results demonstrate that the relation between the nematic order and the superconductivity is not universal in the FeSe system, suggesting that the nematic transition does not play a primary role in the superconductivity in these materials.

We present a first-principles study of RFe$_{12-x}$Cr$_{x}$ (R = Y, Nd, Sm) crystals with ThMn$_{12}$ structure. We discuss, within the mean field approximation, intersite magnetic couplings calculated using Liechtenstein's formula and convert them into Curie temperatures, $T_{\rm C}$, which are found to become larger when a small amount of Cr ($x \leq 0.5$) is introduced into the system. This enhancement is larger than that for Co in the dilute limit, $x \rightarrow 0$. In contrast, above $x > 0.5$, the Curie temperature decreases as Cr concentration increases. This behavior is analyzed using an expansion of $T_{\rm C}$ in terms of concentration.

Correlated electron systems on a honeycomb lattice have emerged as a fertile playground to explore exotic electronic phenomena. Theoretical and experimental work has appeared to realize novel behavior, including quantum Hall effects and valleytronics, mainly focusing on van der Waals compounds, such as graphene, chalcogenides, and halides. In this article, we review our theoretical study on perovskite transition-metal oxides (TMOs) as an alternative system to realize such exotic phenomena. We demonstrate that novel quantum Hall effects and related phenomena associated with the honeycomb structure could be artificially designed by such TMOs by growing their heterostructures along the [111] crystallographic axis. One of the important predictions is that such TMO heterostructures could support two-dimensional topological insulating states. The strong correlation effects inherent to TM $d$ electrons further enrich the behavior.

The physical properties of the high-pressure (HP) cubic phase of PbVO3 were investigated on experimental and theoretical bases. Above 3 GPa, PbVO3 exhibits a structural transition from the tetragonal phase to the cubic phase. Electrical resistivity measurement on a twinned single-crystalline sample under HP showed the metallic conductivity of the HP phase, which was absent in the polycrystalline sample. The observed metallic ground state is in accordance with our theoretical calculations, which also suggest the presence of ferromagnetic ordering in the HP phase. However, the magnetic measurement under HP above the transition pressure did not reveal ferromagnetic behavior. Theoretical calculations produced the magnetic moments of the V ions in the HP phase; thus, this difference can be attributed to a lack of ferromagnetic ordering of magnetic moments.

The problem regarding the distribution of relaxation times (DRT) is revisited and discussed from the view point of mathematics and computing algorithms. Although the algorithm in conventional DRT analysis software involves an implicit hypothesis that the DRT is a continuous real function with a continuous relaxation time, this hypothesis is not a principle of nature but a requirement of a mathematical equation used for analysis. Note that the DRT calculated using the conventional algorithm is a continuous distribution of relaxation times (CDRT). As per the CDRT hypothesis, the DRT is a set of discrete values. On the other hand, there is a model that involves the discrete distribution of relaxation times (DDRT). Thus, the fundamental difference between the CDRT and DDRT models originates from their basic hypothesis. Using modern computers, the DDRT can be beneficial for analyzing non-Debye-type spectra.

FeSn is an antiferromagnet with the Néel temperature TN = 370 K, while CoSn is a Pauli paramagnet. We grew high-quality single crystals of FeSn and CoSn with the hexagonal structure and mainly studied the electronic state of FeSn by measuring the electrical resistivity, specific heat, magnetic susceptibility, magnetization, and de Haas–van Alphen (dHvA) effect. The Fermi surface properties of FeSn in the antiferromagnetic state were clarified by the dHvA experiment and energy band calculation. The main Fermi surface is found to be cylindrical along the hexagonal [0001] direction, possessing a moderately large cyclotron mass \(m_{\text{c}}^{*} = 5.1m_{0}\) (m0: rest mass of an electron). The room-temperature resistivity ρRT of FeSn is anisotropic against the current direction, with ρRT = 75–175 µΩ·cm, revealing a usual magnitude, while the corresponding resistivity of CoSn is very small, ρRT = 4.5 µΩ·cm.

The thermoelectric effects in semiconducting single-walled carbon nanotubes (SWCNTs) are investigated based on the linear response theory combined with the thermal Green's function method. It is shown that the electronic states near the lowest conduction band minimum and the highest valence band maximum can be effectively described in terms of one-dimensional (1D) Dirac electrons to which a theoretical scheme is developed to describe the thermoelectric responses making it possible to study the effects of inter-band impurity scattering and in-gap states. Using the proposed scheme, the bipolar thermoelectric effects (i.e., the sign inversion of the Seebeck coefficient) in semiconducting SWCNTs observed in recent experiments are explained. Moreover, the temperature dependence of the Seebeck coefficient of semiconducting SWCNTs at low temperature is clarified.

The crystal structure and superconductivity of hexagonal BaPtAs are reported. Single-crystal X-ray diffraction, magnetization, electrical resistivity, and specific heat measurements were performed in this study. Two hexagonal structures with different PtAs honeycomb network stacking sequences, namely, SrPtSb- (space group $P\bar{6}m2$, $D_{3h}^1$, No. 187) and YPtAs-type ($P6_3/mmc$, $D_{6h}^4$, No. 194) structures, were identified and found to exhibit superconductivity at 2.8 and 2.1-3.0 K, respectively. In contrast, the cubic LaIrSi-type structure ($P2_13$, $T^4$, No. 198) did not exhibit superconductivity above 0.1 K. BaPtAs provides a unique opportunity to study superconductivity with broken and preserved spatial inversion symmetry.

We succeeded in growing single crystals of EuCu2(Ge1−xSix)2 (x = 0–1) by the Bridgman method using a Mo crucible and measured the electrical resistivity, specific heat, magnetic susceptibility, and magnetization, together with the electrical resistivity under pressure. EuCu2(Ge1−xSix)2 compounds follow the Doniach phase diagram as a function of the x content. Namely, EuCu2(Ge1−xSix)2 compounds exhibit antiferromagnetic ordering at a Néel temperature of TN = 15 K in EuCu2Ge2 (x = 0), a maximum of TN \( \simeq \) 20 K at x \( \simeq \) 0.5, TN → 0 at x \( \simeq \) 0.7, and a moderate heavy-fermion state at x = 0.8 and 1 (EuCu2Si2). The present result is reasonably consistent with the previous studies carried out using arc-melted polycrystal samples. A similar change in the electronic states was also found to be realized under pressure P for x = 0, 0.45, and 0.6. The Néel temperature of TN = 15 K for x = 0 (EuCu2Ge2) increases slightly as a function of pressure, at a rate of dTN/dP = 3.0 K/GPa, reaches a maximum of TN = 27 K at around 5–6 GPa, decreases steeply, and becomes zero at a…

Quantum spin liquid (QSL) is an exotic quantum phase of matter whose ground state is quantum-mechanically entangled without any magnetic ordering. A central issue concerns emergent excitations that characterize QSLs, which are hypothetically associated with quasiparticle fractionalization and topological order. Here we report highly unusual heat conduction generated by the spin degrees of freedom in a QSL state of the pyrochlore magnet Pr$_2$Zr$_2$O$_7$, which hosts spin-ice correlations with strong quantum fluctuations. The thermal conductivity in high temperature regime exhibits a two-gap behavior, which is consistent with the gapped excitations of magnetic ($M$-) and electric monopoles ($E$-particles). At very low temperatures below 200\,mK, the thermal conductivity unexpectedly shows a dramatic enhancement, which well exceeds purely phononic conductivity, demonstrating the presence of highly mobile spin excitations. This new type of excitations can be attributed to emergent photons ($ν$-particle), coherent gapless spin excitations in a spin-ice manifold.

Detailed magnetization measurements enabled us to claim that the layered organic insulator κ-(BEDT-TTF)2Cu[N(CN)2]Cl [BEDT-TTF: bis(ethylenedithio)tetrathiafulvalene] with the Dzyaloshinskii–Moriya interaction has an antiferromagnetic spin structure with the easy axis being the crystallographic c-axis and the net canting moment parallel to the a-axis at zero magnetic field. This zero-field spin structure is significantly different from that proposed in the past studies. The assignment was achieved by arguments including a correction of the direction of the weak ferromagnetism, reinterpretations of magnetization behaviors, and reasoning based on known high-field spin structures. We suggest that only the contributions of the strong intralayer antiferromagnetic interaction, the moderately weak Dzyaloshinskii–Moriya interaction, and the very weak interlayer ferromagnetic interaction can realize this spin structure. On the basis of this model, characteristic magnetic-field dependences of the magnetization can be interpreted as consequences of intriguing spin reorientations. The first…