arXiv subjects

Hiroaki Kusunose

Publications and source records attributed to Hiroaki Kusunose.

At least 19 recordsLinked to original sources

arXiv2026

Quantifying chirality of phonons

Recent years have witnessed growing interest in chiral phonons, lattice vibrations carrying angular momentum and exhibiting handedness, as revealed by helicity-dependent optical phenomena. Despite this progress, a quantitative characterization of phonon chirality as a dynamical property has remained elusive. In this work, we propose a theoretical framework to quantify the dynamical chirality of lattice vibrations. We introduce two quantitative measures: momentum-resolved dynamical chirality, which provides a mode- and wave-vector-resolved picture of phonon chirality, and the bulk dynamical chirality, which characterizes the collective behavior of thermally populated chiral phonons. Using first-principles calculations for both chiral and achiral materials, we demonstrate how these quantities capture the handedness and population imbalance of phonon modes and serve as a means to distinguish the enantiomers of chiral crystals.

cond-mat.mtrl-sci↗

arXiv2026

Chirality-dependent spin polarization in metals: linear and quadratic responses

We study spin polarization induced by locally injected electric currents in a metal whose spin--orbit coupling reflects its structural chirality. We reveal both spin polarization in the bulk in the linear response and antiparallel spin polarization near the interface in the quadratic response to external electric currents, and reproduce the experimentally observed correlation between the chirality of the metal and the direction of spin polarization. In particular, we elucidate that the sign of the spin polarization in the quadratic response is opposite to that expected from the bulk spin current. This sign discrepancy originates from spin polarization induced by dipole-like charge distribution appearing in the quadratic response.

cond-mat.mes-hall↗

arXiv2026

Antiparallel spin polarizations as quadratic response in chiral systems

Chirality-dependent spin generation has attracted considerable attention in condensed matter physics. In this paper, we theoretically investigate antiparallel spin polarization as a chirality-dependent quadratic response, by using a finite chiral system composed of triangular prisms. Based on the nonlinear Kubo formalism and real-time simulations, we demonstrate that spatially inhomogeneous antiparallel spin polarizations are induced as a dissipative quadratic DC response to a homogeneous AC electric field. In particular, we elucidate role of microscopic parameters characterizing the handedness of chirality, and naive expectation of spin polarization as a consequence of spin accumulation of spin current.

cond-mat.mes-hall↗

arXiv2025

Kondo-Peierls transition with nonsymmorphic zone boundary gap formation

We study nonsymmorphic space group symmetry breakings in correlated electron systems. Under nonsymmorphic symmetry, it is well known that there are degeneracies in the electronic Bloch states at the Brillouin zone boundaries. When the system undergoes a phase transition into an ordered phase with breaking the nonsymmorphic symmetry, the degeneracy is lifted. This happens even when the order parameter is uniform. We point out that this general feature leads to various {\it uniform} Peierls transition in nonsymmorphic systems. In particular, we show that such mechanism of the Peierls gap formation can be realized accompanying with uniform anisotropic Kondo singlet formations. This explains the hidden electric order observed in CeCoSi.

cond-mat.str-el↗

arXiv2025

Detection of ferroic octupole ordering in $d$-wave altermagnetic rutile-type compounds

We propose that X-ray absorption and emission magnetic circular dichroism (XAS-MCD and XES-MCD) are promising measurements to directly detect ferroic higher-rank multipoles as candidate order parameters in altermagnets. Using the sum rules for XES-MCD and connecting them to multipole language, we demonstrate that the expectation value of the magnetic octupole moment is finite in the $d$-wave altermagnetic candidate rutile-type compounds TF$_2$ (T=transition metal). We also perform spectral calculations of XAS-MCD and XES-MCD based on an effective model with a full multiplet approach. While the intensity of the XAS-MCD spectra vanishes, the XES-MCD spectra exhibit finite intensity, whose spectrum becomes opposite by inverting the Nèel vector. These results clearly indicate ferroic magnetic octupole order in these compounds.

cond-mat.str-el↗

arXiv2025

Chiral Phonons in a Cubic Lattice

We have developed a theory for the energy dispersion of chiral phonons in a simplest cubic lattice. Among all the phonon modes, only the optical triplet modes exhibit the intrinsic characteristics of chiral phonons near k=0, and we examine their energy splitting in detail by analyzing the dynamical matrix. To first order in k, the splitting is described by a spin-1 Weyl Hamiltonian, and helicity becomes a good quantum number. It asymptotically coincides with the crystal angular momentum for k parallel <111> up to a global sign. The Hamiltonian incorporates a pseudoscalar coupling constant associated with electric toroidal monopoles, determined by the spatial configuration of the stiffness tensors.

cond-mat.str-el↗

arXiv2025

Predominant Electronic Order Parameter for Structural Chirality -- Role of Spinless Electronic Toroidal Multipoles

We discuss predominant order parameters for structural chirality, and demonstrate that time-reversal-even axial-quadrupole plays a key role in stabilizing a chiral structure. Using the symmetry-adapted closest Wannier model of the trigonal Te and Se, we quantify the evolution of the spin-independent (spinless) and spin-dependent (spinful) electric toroidal (ET) (axial) multipole moments across the transition from an achiral to a chiral structure. Our results clearly identify that a spin-independent off-diagonal real hopping between $p$ orbitals, which corresponds to the bond-cluster spinless ET quadrupole of $(3z^{2}-r^{2})$ type $G_{u}$, is the predominant order parameter in stabilizing helical structures. We further elucidate that the above itinerant spinless ET quadrupole induces a monopole-like orbital angular momentum texture in the momentum space, which can be observed via circular-dichroism in soft x-ray photoemission spectroscopy measurement. Our findings highlight a critical role of the orbital angular momentum in chiral materials rather than less dominant spin angular momentum arising from the relativistic spin-orbit coupling.

cond-mat.mtrl-sci↗

arXiv2025

Symmetry-adapted closest Wannier modeling based on complete multipole basis set

We have developed a method to construct a symmetry-adapted Wannier tight-binding model based on the closest Wannier formalism and the symmetry-adapted multipole theory. Since the symmetry properties of the closest Wannier functions are common to those of the original atomic orbitals, symmetry-adapted multipole basis (SAMB) can be defined as the complete orthonormal matrix basis set in the Hilbert space of the closest Wannier functions. Utilizing the completeness and orthonormality of SAMBs, the closest Wannier Hamiltonian can be expressed as a linear combination of SAMBs belonging to the identity irreducible representation, thereby fully restoring the symmetry of the system. Moreover, the linear coefficients of each SAMB (model parameters) related to crystalline electric fields, spin-orbit coupling, and electron hoppings are determined through simple matrix projection without any iterative procedure. Thus, this method allows us to unveil mutual interplay among hidden electronic multipole degrees of freedom in the Hamiltonian and numerically evaluate them. We demonstrate the effectiveness of our method by modeling monolayer graphene under a perpendicular electric field, highlighting its utility in symmetrizing the closest Wannier model, quantifying symmetry breaking, and predicting unusual responses. The method is implemented in the open-source Python library SymClosestWannier, with the codes available on GitHub (https://github.com/CMT-MU/SymClosestWannier).

cond-mat.mtrl-sci↗

arXiv2024

Toroidal orders and related phenomena in nonmagnetic and magnetic materials

In this short article, we overview a concept of electronic toroidal multipoles, and their ordering with associated physical properties in non-magnetic and magnetic materials. The toroidal multipoles are introduced as microscopic electronic variables in view of symmetry. They are classified according to crystallographic and magnetic point groups, which allows us to discuss various possible cross correlations in a transparent and unified manner. The representative examples of toroidal orders and related phenomena, and the mutual relationship between these orders are given, with focusing on monopoles and dipoles. The concept of toroidal multipoles would promote future studies toward observations and identifications of unknown electronic phases and their related physical phenomena.

cond-mat.mtrl-sci↗

arXiv2024

Emergence of chirality by multipole interconversion

A clear understanding of chirality in spin-active electronic states is discussed in order to address confusions about chiral effects recently discovered in materials science. Electronic toroidal monopole $G_0$ can serve as a measure of chirality in this categorization, which can be clearly related to the chiral density operator in the Dirac equation. We extend the concepts of chirality not only to those of materials but also to those of physical fields, and to material-field composites. Additionally, we illustrate specific examples from physics and chemistry that demonstrate the process of acquiring chirality through the combination of seemingly achiral degrees of freedom, which we term the emergence of chirality. Interference among multiple chiralities exhibiting phenomena specific to handedness is also discussed.

cond-mat.mtrl-sci↗

arXiv2024

Unified description of electronic orderings and cross correlations by complete multipole representation

We overview recent developments of electronic orderings and associated cross correlations in condensed matter physics based on a complete set of multipole representations (electric, magnetic, electric toroidal, and magnetic toroidal multipoles) with distinct space-time inversion symmetries. By means of the symmetry-adapted complete basis set in any physical Hilbert space including atomic and cluster degrees of freedom, it provides a unified description of electronic orderings, deformations of band structures, cross correlations, and transport properties in solids. We review that a multipole representation is a powerful tool to attain a comprehensive understanding of various electronic properties and physical phenomena observed in materials. We also demonstrate how to identify active multipoles and expected physical phenomena in real materials with several examples. Our review would serve as a solid foundation for future studies toward observations and identifications of unknown electronic phases and their related physical phenomena.

cond-mat.str-el↗

arXiv2024

Quantification of chirality based on electric toroidal monopole

Chirality ubiquitously appears in nature, however, its quantification remains obscure owing to the lack of microscopic description at the quantum-mechanical level. We propose a way of evaluating chirality in terms of electric toroidal monopole, a practical entity of time-reversal even pseudoscalar (parity-odd) object reflecting relevant electronic wave functions. For this purpose, we analyze a twisted methane at the quantum-mechanical level, showing that the electric toroidal monopoles become a quantitative indicator for chirality. In the twisted methane, we clarify that the handedness of chirality corresponds to the sign of the expectation value of the electric toroidal monopole, and that the most important ingredient is the modulation of the spin-dependent imaginary hopping between the hydrogen atoms, while the relativistic spin-orbit coupling within the carbon atom is irrelevant for chirality.

cond-mat.mtrl-sci↗

arXiv2023

Analysis of photo-induced chirality and magnetic toroidal moment based on Floquet formalism

We analyze the condition of photo-induced atomic-scale chirality and magnetic toroidal moment. By performing a high-frequency expansion in the Floquet formalism, we derive an effective static model Hamiltonian from the spinful $s$-$p$ hybridized model of a single atom interacting with an electromagnetic wave with a particular polarization. The lowest-order and third-order contributions in the high-frequency expansion give rise to the coupling to induce an electric toroidal monopole corresponding to microscopic chirality, while the second-order contribution provides the coupling to induce a magnetic toroidal dipole. We also discuss the condition of the polarization of the electromagnetic wave and induced multipoles. Our results stimulate a new direction of controlling unconventional multipoles by electromagnetic waves.

cond-mat.str-el↗

arXiv2023

Configuration determination for chiral and polar crystals by anisotropic NMR shift

We propose a method to perform a configuration determination for chiral and/or polar crystals by utilizing anisotropy of NMR shift. The chirality (handedness) or polarity of a crystal, that is characterized by its sign, can be extracted from the asymmetric magnetic-field angle dependence of NMR shift in the appropriate plane, as the configuration is reflected in the off-diagonal components of the shift tensor. This method is applicable to the triclinic, monoclinic, and trigonal crystal structures among 230 crystallographic space groups, and the appropriate planes to extract the asymmetric field-angle dependence are tabulated for all relevant space groups. We discuss how to determine the appropriate plane, and to identify each contribution of twin domains, and so on, by using the specific examples of Te, IrSn$_{4}$ and RhSn$_{4}$, and the spontaneous symmetry-breaking phases of URhSn. We also argue that an absolute-configuration determination is also possible in accordance with the relation between chirality or polarity of crystal and the sign of the relevant off-diagonal component of the shift tensor, provided by theoretical evaluation of internal magnetic field from surrounding ions, and/or by experimental input on the shape of the asymmetric etch pit on the cleaved face of crystal.

cond-mat.mtrl-sci↗

arXiv2023

Time-reversal switching responses in antiferromagnets

We propose emergent time-reversal switching responses in antiferromagnets, which is triggered by an accompanying magnetic toroidal monopole, i.e., time-reversal odd scalar distinct from electric and magnetic monopoles. We show that simple collinear antiferromagnets exhibit unconventional responses to external electric and/or magnetic fields once magnetic symmetry accommodates the magnetic toroidal monopole. We specifically demonstrate that the emergence of the magnetic toroidal monopole in antiferromagnets enables us to control rotational distortion by an external magnetic field, switch vortex-type antiferromagnetic structure by an external electric field, and convert right/left-handedness in chirality by a composite electromagnetic field. We also present the symmetry conditions to induce the magnetic toroidal monopole and exhibit candidate materials including noncollinear antiferromagnets in order to stimulate experimental observations.

cond-mat.str-el↗

arXiv2023

Unconventional Hall effect and magnetoresistance induced by metallic ferroaxial ordering

Transport property under metallic ferroaxial ordering in an external magnetic field is theoretically investigated. After presenting the relation between the magnetoconductivity tensor and ferroaxial moment from the symmetry viewpoint, we analyze the behavior of the unconventional Hall effect and magnetoconductivity for a general five $d$-orbital tight-binding model under the point group $C_{\rm 4h}$, where the ferroaxial moment is activated. We show that the crystalline electric field that arises from the symmetry reduction from $D_{\rm 4h}$ to $C_{\rm 4h}$ is essential for the ferroaxial-related magnetotransport, while the relativistic spin-orbit coupling is not required. We also compare the unconventional Hall effect driven by the ferroaxial moment with the conventional Hall effect, the latter of which does not require the ferroaxial moment. The present results provide characteristic transport properties in the ferroaxial systems, which can be observed in various candidate materials like Ca$_5$Ir$_3$O$_{12}$.

cond-mat.str-el↗

arXiv2023

High-performance descriptor for magnetic materials: Accurate discrimination of magnetic structure

The magnetic structure is crucial in determining the physical properties inherent in magnetic compounds. We present an adequate descriptor for magnetic structure with proper magnetic symmetry and high discrimination performance, which does not depend on artificial choices for coordinate origin, axis, and magnetic unit cell in crystal. We extend the formalism called ``smooth overlap of atomic positions'' (SOAP), providing a numerical representation of atomic configurations to that of magnetic moment configurations. We introduce the descriptor in terms of the vector spherical harmonics to describe a magnetic moment configuration and partial spectra from the expansion coefficients. We discuss that the lowest-order partial spectrum is insufficient to discriminate the magnetic structures with different magnetic anisotropy, and a higher-order partial spectrum is required in general to differentiate detailed magnetic structures on the same atomic configuration. We then introduce the fourth-order partial spectrum and evaluate the discrimination performance for different magnetic structures, mainly focusing on the difference in magnetic symmetry. The modified partial spectra that are defined not to reflect the difference of magnetic anisotropy are also useful in evaluating magnetic structures obtained from the first-principles calculations performed without spin-orbit coupling. We apply the present method to the symmetry-classified magnetic structures for the crystals of Mn$_3$Ir and Mn$_3$Sn, which are known to exhibit anomalous transport under the antiferromagnetic order, and examine the discrimination performance of the descriptor for different magnetic structures on the same crystal.

cond-mat.mtrl-sci↗

arXiv2023

Symmetry-adapted modeling for molecules and crystals

We have developed a symmetry-adapted modeling procedure for molecules and crystals. By using the completeness of multipoles to express spatial and time-reversal parity-specific anisotropic distributions, we can generate systematically the complete symmetry-adapted multipole basis set to describe any of electronic degrees of freedom in isolated cluster systems and periodic crystals. The symmetry-adapted modeling is then achieved by expressing the Hamiltonian in terms of the linear combination of these bases belonging to the identity irreducible representation, and the model parameters (linear coefficients) in the Hamiltonian can be determined so as to reproduce the electronic structures given by the density-functional computation. We demonstrate our method for the modeling of graphene, and emphasize usefulness of the symmetry-adapted basis to analyze and predict physical phenomena and spontaneous symmetry breaking in a phase transition. The present method is complementary to de-facto standard Wannier tight-binding modeling, and it provides us with a fundamental basis to develop a symmetry-based analysis for materials science.

cond-mat.mtrl-sci↗