arXiv subjects

Ryotaro Arita

Publications and source records attributed to Ryotaro Arita.

At least 37 records · Page 2Linked to original sources

arXiv2026

Carrier-density dependence of magnetotransport in correlated Dirac semimetal CaIrO$_3$

We report the carrier density dependence of the magnetotransport property in the correlated Dirac semimetal CaIrO$_3$. In the dilute carrier density region ($n_{\rm H}$ $\sim 2.2 \times 10^{16} \,$$\rm{cm}^{-3}$) at $2 \, \mathrm{K}$, the mobility exceeds $1.0 \times 10^{5} \,$$\rm{cm}^{2}/\rm{Vs}$ at $2 \, \mathrm{K}$, and the transverse magnetoresistance (MR) reaches $2,000 \,$\% at $12 \, \mathrm{T}$. The analysis of quantum oscillations and Hall conductivity shows that the Fermi velocity is nearly independent of the cross-sectional area of the Fermi surface, or equivalently the carrier density, supporting a $k$-linear dispersion of the Dirac node. The field dependence of magnetoresistivity is nearly $B$-linear in the moderate carrier density region ($n_\mathrm{H} \geq 4 \times 10^{16}\,$cm$^{-3}$), but scales with $B^α$ ($α> 2$) in the lower carrier density region. The variation of magnetoresistivity is likely affected by the enhanced long-range Coulomb interaction in the quantum limit, where Dirac electrons are subject to the magnetic confinement.

cond-mat.mtrl-sci↗

arXiv2026

Dual-circular Raman optical activity of axial multipolar order

Multipolar order, such as octupolar order, is a key concept in condensed matter physics, particularly in light of elusive hidden orders. However, its experimental identification remains challenging due to the absence of direct coupling to conventional external stimuli. In this study, we propose that dual-circular Raman scattering serves as a probe of multipolar anisotropies. By combining symmetry analysis with microscopic calculations, we identify that both time-reversal-even ($θ$-even) and time-reversal-odd ($θ$-odd) axial multipolar phases exhibit the sizable Raman optical activity as a direct consequence of multipolar symmetry breaking. The quantitative significance of the proposed response is demonstrated by the first-principles study of pyrite, a prototypical axial octupolar material. Furthermore, we reveal that a multipolar phonon, a three-dimensional and alternating displacement resembling the chiral phonon, plays a vital role in the proposed optical phenomena. Our findings open a pathway for identifying multipolar orders in various materials through dual-circular Raman spectroscopy as a sensitive and versatile probe.

physics.optics↗

arXiv2026

Electric toroidal octupolar symmetry in pyrite FeS$_2$ probed by Raman optical activity

We report Raman optical activity in pyrite FeS$_2$, which hosts an electric toroidal octupolar symmetry. A clear and reproducible sign reversal of the circular intensity difference is observed between neighboring $\{111\}$ faces under cross-circular polarization. The signal appears only for the doubly degenerate $E_g$ phonon mode and is absent for other modes, consistent with symmetry analysis. First-principles calculations reproduce these features, establishing Raman optical activity as a probe of higher-rank axial multipolar symmetry.

cond-mat.mtrl-sci↗

arXiv2026

Ferroaxial magnets: time-reversal-even mirror symmetry violation from spin order

We investigate ferroaxial magnets, a new class of spin-order-driven multiferroic magnets in which magnetic ordering induces mirror-symmetry breaking while preserving both time-reversal and spatial-inversion symmetries. These systems exhibit a ferromagnet-like axial anisotropy that allows optical control of the ferroaxial polarization, while their macroscopic time-reversal symmetry makes them attractive for antiferromagnetic spintronics. Using spin crystallographic group analysis, we identify the candidate materials and the nonrelativistic ferroaxial nature stemming from the strong exchange splitting of magnets. Furthermore, a symmetry-based identification shows magnetic materials that host ferroaxial order and metallic conductivity, realizing the ferroaxial metal state that undergoes a ferroaxial phase transition while remaining metallic. As a direct probe for the ferroaxial metal, we propose a third-order nonlinear Hall effect originating from the transverse coupling between the electric field and Berry curvature dipole mediated by the ferroaxial anisotropy. Our results establish ferroaxial magnets as a platform for nonrelativistic multiferroicity and spintronic applications.

cond-mat.mtrl-sci↗

arXiv2026

Coexisting electronic smectic liquid crystal and superconductivity in a Si square-net semimetal

Electronic nematic and smectic liquid crystals are spontaneous symmetry-breaking phases that are seen to precede or coexist with enigmatic unconventional superconducting states in multiple classes of materials. In this Letter we describe scanning tunneling microscopy observations of a short ranged charge stripe (smectic) order in NaAlSi, whose superconductivity is speculated to have an unconventional origin. As well as this we resolve a clear spatial modulation of the superconducting gap amplitude, which arises due to the intertwined superconducting and smectic orders. Numerical calculations help to understand the possible driving mechanism as a suppression of kinetic energy on the Fermi surface formed in part by two large, flat-topped hole pockets of p-orbital character.

cond-mat.supr-con↗

arXiv2026

Plasmon assisted superconductivity in LiTi$_2$O$_4$

We combine $GW$ plus extended dynamical mean field theory ($GW$+EDMFT) with the density functional theory for superconductors (SCDFT) framework to study the electronic properties of LiTi$_2$O$_4$. Excellent agreement with experiment is obtained for the density of states, mass enhancement, Sommerfeld coefficient and superconducting $T_c$, if the dynamical nature of the screened Coulomb interaction is taken into account. Our results show that the coupling to collective charge fluctuations (plasmons) plays an important role in the pairing mechanism and explains the remarkably high $T_c$ of this moderately correlated spinel compound.

cond-mat.supr-con↗

arXiv2026

Systematic Magnetic Structure Generation Based on Oriented Spin Space Groups: Formulation, Applications, and High-Throughput First-Principles Calculations

We propose a framework for generating magnetic structures, inspired by the concept of oriented spin space groups (SSGs): magnetic structures are first generated as totally symmetric representations of an SSG and are then rotated such that they belong to the maximal magnetic space group of the SSG, which we term spin-symmetry-adapted (SSA) structures and oriented SSA structures, respectively. This is a natural framework to enforce fixed magnetic moment magnitudes on the symmetry-equivalent sites as well as to exploit the spin-orbit coupling (SOC)-induced hierarchy of energy scales. To examine the present scheme, we analyze the MAGNDATA database and find that 77% of the reported structures are reproducible at the SSG level, among which 82% are fully reproduced within the oriented SSG scheme, regardless of their spin-only group types or propagation vectors. To quantitatively assess computational and predictive performance, we perform spin density functional theory calculations for 283 materials, first carrying out self-consistent calculations for SSA structures without SOC, followed by fixed-charge calculations including SOC for the descendant oriented SSA structures. The experimental magnetic structures are reproduced as energetically most stable in 82% of cases at the SSG level without SOC and in 76% of cases at the oriented SSG level with SOC, showing that the fixed-charge scheme enables accurate evaluation of SOC-induced energy differences at low computational cost. The characteristic energy scale among oriented SSA structures is only $\sim$0.29 meV per magnetic atom, about 300 times smaller than that of distinct SSA structures. These results demonstrate that oriented SSG-based enumeration, combined with the two-step calculations for SSA and oriented SSA structures, provides an efficient and robust route for large-scale magnetic-structure prediction.

cond-mat.mtrl-sci↗

arXiv2025

Finite-Temperature $\textit{ab initio}$ Structural Optimization of the Bilayer Nickelate Superconductor La$_3$Ni$_2$O$_7$

We develop a first-principles framework for finite-temperature structural optimization that incorporates vibrational contributions to the free energy through anharmonic phonon theory. We extend and further improve the efficiency of the recent approach, enabling its application to systems in which the size of the primitive cell changes across structural phase transitions. Applying this framework to La$_3$Ni$_2$O$_7$, we establish its pressure-temperature phase diagram and find that the slope of the phase boundary between the high-symmetry and low-symmetry phases is negative, with a magnitude of approximately -60 K / GPa. The present results provide a theoretical foundation for discussing how changes in crystal symmetry influence the emergence of superconductivity.

cond-mat.supr-con↗

arXiv2025

Calculation of the biquadratic spin interactions based on the spin cluster expansion for \textit{ab initio} tight-binding models

We develop a calculation scheme using \textit{ab initio} tight-binding Hamiltonians to evaluate biquadratic magnetic interactions. This approach relies on the spin cluster expansion combined with the disordered local moment (DLM) method, originally developed within the multiple scattering Korringa-Kohn-Rostoker method. Applying it to a single-orbital Hubbard model with two sublattices, we show that the evaluated DLM biquadratic interactions are in good agreement with those obtained from the strongly correlated limit, demonstrating the wide applicability of the method to various magnetic systems with large local moments. We then apply it to the \textit{ab initio} tight-binding models for elemental magnetic metals; the resulting magnetic interactions align well with previous literature. Finally, we explore its performance in more complex compounds, such as transition metal dichalcogenides with intercalation of 3\textit{d} transition metals and potassium electrosodalite. The obtained results for both compounds show good agreement with experiments. The present approach offers a convenient \textit{ab initio} path for evaluating biquadratic interactions and understanding the electronic mechanisms controlling them.

cond-mat.str-el↗

arXiv2025

First-Principles Approach to Spin Excitations in Noncollinear Magnetic Systems

We present a first-principles method based on density functional theory and many-body perturbation theory for computing spin excitations in magnetic systems with noncollinear spin textures. Traditionally, the study of magnetic excitations has relied on spin models that assume magnetic moments to be localized. Beyond this restriction, recent $ab~initio$ methods based on Green's functions within the local spin-density approximation have emerged as a general framework for calculating magnetic susceptibilities. However, their application has so far been largely limited to collinear ferromagnetic and antiferromagnetic systems. In this work, we extend this framework and enable the treatment of large-scale noncollinear magnetic systems by leveraging a Wannier-basis representation and implementing an ansatz potential method to reduce computational cost. We apply our method to the spin-spiral state of LiCu$_2$O$_2$, successfully capturing its steady-state spin-rotation pitch in agreement with the experimental measurement and resolving the characteristic magnon dispersion. We further analyze the interplay between the spiral spin structure and the on-site spin-exchange splitting, and elucidate the crucial role of magnetic dipoles on ligand ions in mediating effective ferromagnetic interaction among the primary spins on Cu$^{2+}$ ions. Finally, we provide a theoretical prediction of the magnon dispersion on top of the helical spin background in high agreement with the experimental measurement. Overall, this work establishes a general and computationally efficient framework for simulating collective spin dynamics in noncollinear magnetic systems from first principles, exemplified by -- but not limited to -- spin-spiral states.

cond-mat.mtrl-sci↗

arXiv2025

Higher-order epitaxy: A pathway to suppressing structural instability and emergent superconductivity

Molecular beam epitaxy enables the growth of thin film materials with novel properties and functionalities. Typically, the lattice constants of films and substrates are designed to match to minimise disorders and strains. However, significant lattice mismatches can result in higher-order epitaxy, where commensurate growth occurs with a period defined by integer multiples of the lattice constants. Despite its potential, higher-order epitaxy is rarely used to enhance material properties or induce emergent phenomena. Here, we report single-crystalline FeTe films grown via 6:5 commensurate higher-order epitaxy on CdTe(001) substrates. Scanning transmission electron microscopy reveals self-organised periodic interstitials near the interface, arising from higher-order lattice matching. Synchrotron x-ray diffraction shows that the tetragonal-to-monoclinic structural transition in bulk FeTe is strongly suppressed. Remarkably, these films exhibit substrate-selective two-dimensional superconductivity, likely due to suppressed monoclinic distortion. These findings demonstrate the potential of higher-order epitaxy as a tool to control materials and inducing emergent phenomena.

cond-mat.mtrl-sci↗

arXiv2025

Visualization of spin-orbit entangled 4f electrons in crystalline materials

Lanthanide 4f electrons are strongly influenced by spin-orbit coupling, resulting in well-defined J multiplets, which are further split by the crystalline electric field in condensed matter. While the anisotropy of 4f electrons is closely linked to material properties, direct experimental observation of the 4f electron distribution in real space remains a significant challenge. Here, we present an approach for visualizing the anisotropic distribution of lanthanide 4f electrons in pyrochlore oxides by combining high-photon-energy X-ray diffraction and valence electron density (VED) analysis based on the core differential Fourier synthesis (CDFS) method. The observed VED distributions around the lanthanide site reveal the parameters of the ground-state wavefunction, which roughly agree with point-charge calculations for the trigonal crystal electric field under the LS coupling scheme. This CDFS-based VED observation method not only provides insights into the anisotropic nature of 4f electrons but also opens a pathway for studying the 4f states in a wide range of crystalline materials.

cond-mat.str-el↗

arXiv2025

Electronic band structure from quasiparticle interference and Landau quantization in WTe$_2$

WTe$_2$ stands out as a semimetal presenting Fermi level quantum oscillations in most measured quantities under magnetic fields. However, the electronic band structure above and below the Fermi level has not been explored completely. Here we study the electronic band structure of WTe$_2$ by quasiparticle interference with Scanning Tunneling Microscopy (STM) and observe, with the support of Density Functional Theory (DFT), the electron and hole bands around the Fermi level. We also report on the observation of Landau quantization in atomically resolved measurements and discuss the possible connection with band structure calculations.

cond-mat.mes-hall↗

arXiv2025

Luttinger surface and exchange splitting induced by ferromagnetic fluctuations

Ferromagnetism in the single-orbital Hubbard model, which contains only local Coulomb repulsion and no explicit ferromagnetic exchange interactions, has been extensively studied. However, how the associated fluctuations influence the electronic properties near the transition remains a fundamental issue. Here, by applying the dynamical vertex approximation (D$Γ$A) to single-orbital systems with a partially flat band dispersion, we demonstrate that finite-correlation-length ferromagnetic fluctuations generate an emergent Luttinger surface and drive a Fermi surface expansion reminiscent of exchange splitting, even without magnetic order. We further derive an analytical expression that reproduces these effects, clarifying the microscopic origin for fluctuation-driven exchange splitting in correlated electron systems.

cond-mat.str-el↗

arXiv2025

Symmetry analysis of cross-circular and parallel-circular Raman optical activity

The Raman scattering regarding the circularly-polarized incident and scattered lights is closely related to the circular activity of a given system. We investigate the symmetry of its activity, called the cross-circular and parallel-circular Raman optical activity. The analysis is systematically performed with the magnetic point groups and indicates that the response allows for a useful diagnosis of the symmetry of materials like chirality and (magneto-)axiality. It is also shown that the Stokes and anti-Stokes processes are related to each other by the conserved antiunitary symmetry for the time-reversal operation and that combined with the mirror reflection.

cond-mat.mtrl-sci↗

arXiv2025

Unraveling a chemical-bond-driven root of topology in three-dimensional chiral crystals

Chirality manifests across multiple scales, yielding unique phenomena that break mirror symmetry. In chiral materials, unexpectedly large spin-filtering or photogalvanic effects have been observed even in materials composed of light elements, implying crucial influence of their topological electronic states. However, an underlying framework that links chemical bonding and electronic topology remains elusive, preventing the rational design of quantum chiral properties. Here we identify the chiral bonding network responsible for multifold topological fermions by combining synchrotron X-ray diffraction and first-principles calculations on cubic chiral crystals, CoSi and FeSi. Based on the observations of asymmetric valence electron distributions around the transition metals, together with analyses of their bonding to sevenfold-coordinated silicon atoms, we develop a three-dimensional Su-Schrieffer-Heeger model, showing that inter-site hopping on this chiral network creates multifold fermions with doubled topological invariants. Topological features can be switched by reversing the crystalline chirality or tuning electron filling. Our results highlight that implementing strong spin-orbit coupling is not the sole route to realize robust topological phases at elevated temperatures and offer a practical design principle for exploiting chiral topology. Moreover, this real-space framework naturally extends to other elementary excitations or artificial metamaterials, enabling various quantum functionalities through an intuitive approach to chirality engineering.

cond-mat.mtrl-sci↗

arXiv2025

Dirac charge in antiferromagnetic topological semimetals

Topological node of electronic bands can carry emergent charge degree of freedom such as the Berry curvature monopole of the Weyl semimetals, which results in intriguing transport and optical phenomena. In this study, we discuss the existence of the hidden "Dirac charge" and its detection via the photocurrent response in antiferromagnetic (AFM) Dirac semimetals. In light of the Berry curvature defined in the spin and spin-charge-mixed parameter space, we identify Dirac charges as sources or sinks of the Berry curvature in the generalized parameter space. We demonstrate that this Dirac charge can be detected via the photocurrent driven by the spin-charge-coupled motive force. By using real-time simulation, we find that the Dirac charge plays a significant role in the photocurrent generation in AFM Dirac semimetals. This work reveals the hidden property of the Dirac points in AFM Dirac semimetals.

cond-mat.mes-hall↗

arXiv2025

Strong-coupling high-$T_{\rm c}$ superconductivity in doped correlated band insulators

We explore the superconducting properties of the bilayer Hubbard model, which exhibits a high transition temperature ($T_{\rm c}$) for an $s_{\pm}$ pairing, using a cluster extension of the dynamical mean-field theory. Unlike the single-layer Hubbard model, where the $d$-wave superconductivity emerges by doping the Mott insulator, the parent state of the bilayer system is a correlated band insulator. Above $T_{\rm c}$, slight hole (electron) doping introduces a striking dichotomy between electron and hole pockets: the electron (hole) pocket develops a pseudogap while the other becomes a nearly incipient band. We reveal that the superconductivity is driven by kinetic (potential) energy gain in the underdoped (overdoped) region. We also find a very short coherence length, for which we argue the relevance to multi-orbital physics. Our study offers crucial insights into the superconductivity in the bilayer Hubbard model potentially relevant to La$_3$Ni$_2$O$_7$.

cond-mat.supr-con↗