arXiv subjects

Chisa Hotta

Publications and source records attributed to Chisa Hotta.

At least 19 recordsLinked to original sources

arXiv2026

Theory of clusterization in orbitally degenerate transition-metal compounds driven by lattice instabilities

We derive an effective orbital-lattice model with quantum $S=1$ degrees of freedom for transition-metal compounds, providing a microscopic understanding of cluster formation driven by the cooperative interplay of spin, orbital, and lattice degrees of freedom. Motivated by the trimerized phases observed in LiVS$_2$ and LiVO$_2$, we consider a triangular-lattice three-orbital system with two electrons per site occupying the threefold-degenerate $t_{2g}$ manifold. Starting from a multiorbital Kanamori-Hubbard Hamiltonian, we project the low-energy sector onto the local $S=1$ triplet manifold, in which two electrons occupy different orbitals according to Hund's coupling. The resulting effective model exhibits exchange networks whose geometry is determined by the orbital configuration. However, the orbital-driven exchange interactions alone do not stabilize the experimentally observed trimer phase. We find that by incorporating ionic lattice displacements that modulate transfer integrals and induce bond-dependent exchange couplings on shortened and elongated bonds, the phase competition is qualitatively altered, leading to the robust stabilization of a trimerized ground state within a fully quantum-mechanical framework. We further show that a simplified orbital-lattice model, in which the spin-exchange energy is replaced by effective bond energies, faithfully reproduces the essential ground-state properties of the microscopic model. This reduced description enables large-scale finite-temperature simulations and reveals a rich sequence of thermal phase transitions, including first-order, second-order, and Kosterlitz-Thouless transitions into distinct spin-, orbital-, and lattice-ordered phases.

cond-mat.str-el↗

arXiv2026

Specific heat and susceptibility of S=1/2 antiferromagnets on square, triangular, and kagome lattices

We study the temperature dependence of the thermodynamic properties of spin-1/2 antiferromagnets on two-dimensional lattices. Our analysis employs the sine-square deformation (SSD), in which a real-space envelope function is applied to the Hamiltonian so that the local energy scale is smoothly reduced to zero at the system boundaries. The quantum eigenstates of the SSD Hamiltonian exhibit bulk-like behavior near the system center, effectively mimicking the thermodynamic limit even in small finite-size calculations. Using these fictitious bulk states, we compute the energy density, specific heat, and magnetic susceptibility as functions of temperature. We find that both the triangular- and kagome-lattice antiferromagnets show either a shoulder or a pronounced double-peak structure in the low-temperature specific heat, whereas the kagome case particularly shows a strong enhancement of magnetic susceptibility down to the lowest temperature range. These direct comparisons, together with the square-lattice and one-dimensional cases, reveal that although both frustrated systems retain a substantial amount of entropy, the low-energy excitations below ~ 0.5J of the kagome lattice are predominantly governed by the magnetic excited states, whereas not much for the triangular lattice.

cond-mat.str-el↗

arXiv2026

Classification of magnon thermal Hall systems based on U(1) to non-Abelian gauge fields

Magnon thermal Hall effect in insulating magnets is the manifestation of Berry curvature in magnon bands, which is formulated using the emergent gauge fields that act on magnons as a fictitious magnetic field. In ferromagnets, it is commonly accepted as the outcome of U(1) gauge fields generated by Dzyaloshinskii-Moriya interactions and spin textures, but this mechanism is often suppressed by symmetry-enforced cancellations in many lattice geometries, known as a no-go rule. As a result, antiferromagnetic insulators have long been considered as unfavorable platforms for the effect. We show that antiferromagnets with multiple magnetic sublattices naturally host non-Abelian SU(N) gauge fields in magnon band structures, providing a robust rule-to-go mechanism. The noncommutativity of these gauge fields prevents Berry-curvature cancellation and guarantees a nonvanishing thermal Hall response. As a minimal realization, we demonstrate that a coplanar 120$^{\circ}$ antiferromagnet with Dzyaloshinskii-Moriya interactions constitutes a canonical SU(3) platform for the magnon thermal Hall effect. We provide a table of so-far-known two-dimensional lattice geometries and variants of magnetic structures, along with the corresponding gauge fields, providing a unified guideline for identifying magnetic materials, including antiferromagnets and altermagnets, that host thermal Hall transport.

cond-mat.mes-hall↗

arXiv2025

Environment-matrix-product operator for boundary-free large-scale quantum many-body simulations

We propose an alternative to the infinite density-matrix renormalization approach for accessing quantum many-body states within a finite-size calculation that faithfully mimics the thermodynamic limit. Our method constructs environment matrix product operators (MPOs) representing the Hamiltonian of semi-infinite regions surrounding the target system. Starting from the finite-size ground-state MPS, we contract its Hamiltonian representation to generate effective environment MPOs, which are then attached to a renewed finite system in a recursive manner. This iterative embedding drives the system toward a bulk-like state with negligible finite-size effects. The scheme requires no assumption of homogeneity and achieves unprecedentedly long real-time dynamics free from boundary reflections.

cond-mat.str-el↗

arXiv2025

Scan calculation of the density of states: real space cluster perturbation theory applied to inhomogeneous Hubbard model in one dimension

We present the spectral analysis of a one-dimensional Hubbard model with a parabolic potential, using a real-space cluster perturbation theory (rCPT) designed to study spatially inhomogeneous electron systems with strong correlation. It is a natural extension of the conventional CPT to inhomogeneous cases by computing local Green's functions while averaging over multiple cluster boundaries. We find that the local density of states of at each site mirrors that of a homogeneous system with the same local filling. This insight offers a perspective on spectral evolution in inhomogeneous systems used to scan the occupancy-dependent features of the homogeneous system, making this setup a practical one-shot spectroscopy tool for ultracold atoms in harmonic traps.

cond-mat.str-el↗

arXiv2025

Dynamical dimerization and subdiffusive transport of strongly correlated neutral-ionic systems coupled to lattices

We study the Monte Carlo dynamics of strongly correlated classical particles coupled to lattice degrees of freedom that exhibit the neutral-ionic transitions in one dimension, relevant to the organic compounds TTF-CA and TTF-BA. The particles carrying up and down spins suffer strong Coulomb interactions and undergo a neutral-to-ionic transition when the alternating site potentials become small, accompanying the charge transfer to the higher energy sites. The model is already shown to exhibit the enhancement of conductivity near the neutral-to-ionic crossover, which is carried by the neutral-ionic domain walls (NIDWs) that show diffusive character. Here, by incorporating local lattice dimerization effects, the motion of NIDWs becomes subdiffusive, and the conductivity is enhanced by one order of magnitude. When the ionic and dimerized states coexist, the strong fluctuation of dimer configuration supports the antiferromagnetic spin correlation, suppresses Pauli blocking, and subsequently enhances the motion of NIDWs. Our results highlight the crucial role of local and fluctuating dimerization in governing transport and ferroelectric properties near neutral-ionic transitions.

cond-mat.str-el↗

arXiv2025

Effective spin model with anisotropic exchange interactions for the spin-orbit coupled Hubbard model at half-filling

Spin-orbit coupling (SOC) in noncentrosymmetric materials is the source of incommensurate magnetic structures. In semiconductors, it drives the Rashba spin splitting and spin momentum locking, while in magnetic insulators based on transition metals, it induces anisotropic spin exchange interactions, like the Dzyaloshinskii-Moriya (DM) interaction which drives chiral magnetism and skyrmion formation. Here, we establish a direct connection between SOC and spin exchange interactions by deriving an effective spin model from the SOC Hubbard model at half-filling. Using a strong-coupling expansion up to fourth order by including the full set of terms, we identify Heisenberg, Ising-like, and ring exchange interactions, as well as a variety of four-body terms for realistic Hubbard parameters, which impose strong constraints on the relative strengths of the spin interactions. Our spin model shows excellent agreement in energy with the SOC Hubbard model down $U/t \sim 5$ near the metal-insulator transition point, providing insight to which kind of magnetic interactions relevant across this regime are responsible for the emergence of complex magnetic textures.

cond-mat.str-el↗

arXiv2025

Spinor ice correlation in flat-band electronic states on kagome and pyrochlore lattices with spin-orbit coupling

We investigate the emergence and transformation of pinch-point singularities in the excitation spectrum of electronic flat band systems on kagome and pyrochlore lattices with spin-orbit coupling (SOC) and Coulomb interactions. While pinch points are widely recognized as signatures of classical spin liquids, they also appear in electronic flat-band systems when there exists a singular band-touching point to dispersive bands. We explore how SOC modifies the pinch-point structure in the chiral spin flat-band metallic state, which we term spinor-ice. The pinch point profile can rotate or redistribute its spectral weight, governed by a prefactor in the spectral function that primarily depends on the direction of the ground-state spin polarization, where we show that SOC flat bands could be experimentally probed by rotating the spin polarization of the injected electron to infer internal magnetic structures. These observations are discussed in conjunction with the angle-resolved photoemission spectroscopy (ARPES) and the application to the potential SOC flat-band material $\rm CsW_2O_6$. We also demonstrate the persistent residual pinch-point features under Coulomb interactions and deviations from the ideal flat-band limit.

cond-mat.str-el↗

arXiv2024

Spin amplitude wave due to dipole-quadrupole hybridization in spin-1 pyrochlore magnets

We explore the quantum pseudospin-1 pyrochlore magnet featuring Fe$^{2+}$-based spinel oxides that addresses the formation of amplitude-modulated spin-density waves. We propose that the relatively small spin-orbit coupling and the small extra crystal field splitting in these materials create anisotropic exchange interactions and strong single-ion anisotropy, respectively, whose interplay becomes the source of quadrupolar moments selectively appearing on certain sublattices, leading to a spatially modulated hybrid of dipolar and quadrupolar moments. This mechanism represents the possibility of insulating magnets to form an exotic phase with coexisting liquid-solid properties.

cond-mat.str-el↗

arXiv2024

Diffusive dynamics of fractionalized particles and the enhanced conductivity at the border of the neutral-ionic transition

We study the diffusive dynamics of the classical one-dimensional lattice model of mobile particles featuring the incoherent metallic state of the organic TTF-CA found in the vicinity of the neutral-ionic(NI)-transition. The particles are strongly correlated and feel the alternating site potentials, exhibiting uniform ionic (I) Mott insulating and neutral band insulating (N) phases when the Coulomb interaction and site potentials are large, respectively. We focus on the neutral-ionic domain walls (NIDW) activated by their competition, which is typically regarded as fractionalized particles. The finite temperature phase diagram reveals a thermodynamically stable NIDW phase not found in previous literature that emerges at the triple point, where the transition line splits into two first-order lines toward the critical endpoints. We analyze the long-time behavior of dynamics of the NIDWs and find that it captures the diffusive transport of the system. The conductivity derived from the diffusion constant and the number population of NIDWs shows a strong enhancement inside the NIDW phase, which can explain the large conductivity at the NI crossover found in TTF-CA.

cond-mat.other↗

arXiv2024

Cluster-projected matrix product state: framework for engineering exact quantum many-body ground states in one and two dimensions

We propose a framework to design concurrently a frustration-free quantum many-body Hamiltonian and its numerically exact ground states on a sufficiently large finite-size cluster in one and two dimensions using an elementary matrix product state (MPS) representation. Our approach strategically chooses a local cluster Hamiltonian, which is arranged to overlap with neighboring clusters on a designed lattice. The frustration-free Hamiltonian is given as the sum of the cluster Hamiltonians by ensuring that there exists a state that has its local submanifolds as the lowest-energy eigenstate of every cluster. The key to find such a solution is a systematic protocol, which projects out excited states on every cluster using MPS and effectively entangles the cluster states. The protocol offers several advantages, including the ability to achieve exact many-body ground-state solutions at nearly equal cost in one and two dimensions, those belonging to gapless or long-range entangled classes of ground states, flexibility in designing Hamiltonians unbiasedly across various forms of models, and numerically feasible validation through energy calculations. Our protocol offers the exact ground state for general frustration-free Hamiltonian, and enables the exploration of exact phase boundaries and the analysis of even a spatially nonuniform random system, providing platforms for quantum simulations and benchmarks.

cond-mat.str-el↗

arXiv2024

Pinch-point spectral singularity from the interference of topological loop states

Pinch point is a spectral discontinuity found in the neutron diffraction image of spin ice. Similar spectral singularity is commonly observed in a broad range of systems that have a close connection with flat bands. We focus on the electron flat band and its two topologically distinct classes of wavefunction: the compact localized state (CLS), and the non-contractible loop state (NLS). We establish their simple mathematical relationship, showing that different Bloch NLSs can be derived as momentum derivatives of a Bloch CLS, depending on the approaching direction toward the singular point. This CLS-NLS correspondence helps visualize the pinch point as an interference pattern among NLSs through a ``polarizer", which encodes the information about the location of singular momentum and the experimental techniques like spin-polarized photoemission spectroscopy. It helps extract topological information knit to microscopic electronic and magnetic structures.

cond-mat.mtrl-sci↗

arXiv2024

Phase diagram of the quantum spin-1/2 Heisenberg-$\Gamma$ model on a frustrated zigzag chain

We investigate the quantum spin-1/2 zigzag chain with frustrated $J_1$-$J_2$ Heisenberg interactions, incorporating additional off-diagonal exchange interactions known as the $\Gamma$ term, both with and without an applied magnetic field. Based on the density-matrix renormalization group calculation, we map out the ground state phase diagram that shows a variety of magnetic and nonmagnetic phases including multicritical points and several exactly solvable points. Upon introducing a finite $\Gamma$ term, we observe the persistent dimer singlet state of the $J_1$-$J_2$ Heisenberg model, sustaining a nonzero spin gap, while also giving rise to a gapless nonmagnetic excitation, manifesting in the substantial zero-energy peak in the nematic dynamical structure factor. This gapless peak-mode remaining almost as a fluctuation to the ground state, induces dilute but robust concentration of nematicity on top of singlets on dimers, which we call the nematic singlet-dimer phase. When the whole nematic excited mode condenses and replaces the singlet, the nematic-dimer phase transforms to the Ising-type ferromagnetic or antiferromagnetic long-range orders that arise from the $\Gamma$ term spontaneously selecting magnetic easy axes. Its orientations dictate the type of magnetic order under geometric frustration effects as predicted by Landau's mean-field theory. These theoretical findings provide insights into the exotic low-temperature phase observed in YbCuS$_2$, characterized by gapless excitations and seemingly nonmagnetic behavior accompanied by incommensurate correlations.

cond-mat.str-el↗

arXiv2024

Sample complexity of matrix product states at finite temperature

For quantum many-body systems in one dimension, computational complexity theory reveals that the evaluation of ground-state energy remains elusive on quantum computers, contrasting the existence of a classical algorithm for temperatures higher than the inverse logarithm of the system size. This highlights a qualitative difference between low- and high-temperature states in terms of computational complexity. Here, we describe finite-temperature states using the matrix product state formalism. Within the framework of random samplings, we derive an analytical formula for the required number of samples, which provides both quantitative and qualitative measures of computational complexity. At high and low temperatures, its scaling behavior with system size is linear and quadratic, respectively, demonstrating a distinct crossover between these numerically difficult regimes of quantitative difference.

cond-mat.stat-mech↗

arXiv2024

Exact matrix product states at the quantum Lifshitz tricritical point in a spin-1/2 zigzag-chain antiferromagnet with anisotropic $\Gamma$-term

Quantum anisotropic exchange interactions in magnets can induce competitions between phases in a different manner from those typically driven by geometrically frustrated interactions. We study a one-dimensional spin-1/2 zigzag chain with such an interaction, $\Gamma$-term, in conjunction with the Heisenberg interactions. We find a ground state phase diagram featuring a multicritical point where five phases converge: a uniform ferromagnet, two antiferromagnets, Tomonaga-Luttinger liquid and a dimer-singlet coexisting with nematic order. This multicritical point is simultaneously quantum tricritical and Lifshitz, and most remarkably, it hosts multi-degenerate ground state wave functions, whose exact form is obtained in the matrix product form and its degeneracy increases in squares of system size.

cond-mat.str-el↗

arXiv2023

Deriving quantum spin model for a zigzag-chain ytterbium magnet with anisotropic exchange interactions

We derive a quantum spin Hamiltonian of the spin-1/2 zigzag chain realized in a rare earth ytterbium-based magnetic insulator, YbCuS2. This material undergoes a transition at 0.95K to an incommensurate magnetic phase with small moments, which does not conform to the nonmagnetic singlet ground state of the spin-1/2 Heisenberg model. We take account of octahedral crystal field effect, atomic spin-orbit coupling, and strong Coulomb interactions on Yb ions, and perform a four-order perturbation theory to evaluate the superexchange coupling constants. A small but finite anisotropic exchange coupling called {\Gamma}-term appears similarly to the case reported previously in other triangular-based magnets. By varying several material parameters, we figure out two important factors to enhance {\Gamma}-term. One is the splitting of excited f-states with two holes, which efficiently selects the perturbation terms associated with the lowest excited state having large total angular momentum, and accordingly with high spatial anisotropy. The other is the tilting of octahedra or distortion of S-Yb-S bond angle, which break the symmetry of the Slater-Koster overlap. These effects are systematically analyzed by the exchange anisotropy in units of pairs of octahedra within the local spin frame, which significantly reduces the complexity of directly referring to the Hamiltonian discussed in the global axis.

cond-mat.str-el↗

arXiv2023

Thermal pure matrix product state in two dimensions: tracking thermal equilibrium from paramagnet down to the Kitaev honeycomb spin liquid state

We present the first successful application of the matrix product state (MPS) representing a thermal quantum pure state (TPQ) in equilibrium in two spatial dimensions over almost the entire temperature range. We use the Kitaev honeycomb model as a prominent example hosting a quantum spin liquid (QSL) ground state to target the two specific-heat peaks previously solved nearly exactly using the free Majorana fermionic description. Starting from the high-temperature random state, our TPQ-MPS framework on a cylinder precisely reproduces these peaks, showing that the quantum many-body description based on spins can still capture the emergent itinerant Majorana fermions in a ${\mathbb Z}_2$ gauge field. The truncation process efficiently discards the high-energy states, eventually reaching the long-range entangled topological state approaching the exact ground state for a given finite size cluster. An advantage of TPQ-MPS over exact diagonalization or purification-based methods is its lowered numerical cost coming from a reduced effective Hilbert space even at finite temperature.

cond-mat.str-el↗

arXiv2023

Emergent SU(3) magnons and thermal Hall effect in the antiferromagnetic skyrmion lattice

Complexity of quantum phases of matter is often understood by the underlying gauge structures, as was recognized by the $\mathbb{Z}_2$ and U(1) gauge theory description of spin liquid in frustrated magnets. Anomalous Hall effect of conducting electrons can intrisically arise from U(1) gauges expressing the spatial modulation of ferromagnetic moments or from SU(2) gauges representing the spin-orbit coupling effect. Similarly, in insulating ferro and antiferromagnets, the magnon excitations can contribute to anomalous transports by feeling the U(1) and SU(2) gauges arising from the features of ordered moments or interactions. In this work, we report the emergent higher rank SU(3) gauge structure in the magnon transport based on the thermal conductivity measurements of MnSc$_2$S$_4$ in an applied field up to 14\,T. The thermal Hall coefficient takes a substantial value when the material enters a three-sublattice antiferromagnetic skyrmion phase, which is confirmed by the large-scale spin wave theory. The excited magnons are dressed with SU(3) gauge field, which is a mixture of three species of U(1) gauge fields originating from the slowly varying magnetic moments on these sublattices.

cond-mat.str-el↗