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Shuta Matsuura

Publications and source records attributed to Shuta Matsuura.

3 recordsLinked to original sources

Magnetically activated optical visibility of many-body excitons in NiPS$_3$

NiPS$_3$ is a layered van der Waals magnet that provides a unique platform for exploring the interplay between excitons and magnetic order. In its antiferromagnetic phase, strong many-body interactions give rise to a many-body exciton, which manifests itself as an exceptionally sharp resonance near $1.47 \, \mathrm{eV}$ in optical absorption spectra and photoluminescence. Previous theoretical studies have assigned the local ground state and the many-body exciton to spin-triplet and spin-singlet states, respectively, both with even parity. This picture, however, cannot account for the observed optical visibility of the many-body exciton because one-photon transitions between these states are forbidden by spin and parity selection rules. Here, using group-theoretical analysis and exact diagonalization of single- and two-cluster models, we show that zigzag antiferromagnetic order breaks the relevant symmetries and activates the otherwise forbidden transition. We further find that trigonal distortion of the local ligand environment and the inter-cluster exchange interaction relax additional spatial and spin constraints on the transition, producing an exciton signal in the optical conductivity that is distinguishable from the spectral background. These results provide a microscopic explanation for the optical visibility of the many-body exciton and its connection to antiferromagnetic order in NiPS$_3$.

cond-mat.str-el↗

Weak-coupling tensor cross interpolation impurity solver for nonequilibrium dynamical mean-field theory

Simulating nonequilibrium quantum many-body systems remains a major challenge due to the exponential growth of the computational complexity with real time. Here we implement a nonequilibrium impurity solver based on the weak-coupling expansion and the tensor cross interpolation (TCI), and apply it to nonequilibrium dynamical mean-field theory (DMFT). The method approximates the integrands of the high-dimensional integrals arising in the weak-coupling expansion in a tensor-train form, enabling efficient evaluations without stochastic sampling and thereby mitigating the sign problem affecting continuous-time quantum Monte Carlo (CT-QMC) methods. Benchmark calculations for an exactly solvable nonequilibrium impurity model agree well with the exact results and reveal a low-rank structure of the integrands. When applied to interaction-quench problems in the half-filled Hubbard model, the method reproduces fast thermalization at a critical interaction strength with accuracy comparable to CT-QMC. Away from half filling, where the sign problem becomes even more severe, the present approach remains well controlled, revealing a crossover instead of a sharply defined fast thermalization point in the 3/4-filled case. The solver can also be applied to steady-state DMFT problems, yielding accurate spectral functions in the metallic regime without analytic continuation.

cond-mat.str-el↗

Tensor cross interpolation approach for quantum impurity problems based on the weak-coupling expansion

We apply the tensor cross interpolation (TCI) algorithm to solve equilibrium quantum impurity problems with high precision based on the weak-coupling expansion. The TCI algorithm, a kind of active learning method, factorizes high-dimensional integrals that appear in the perturbative expansion into a product of low-dimensional ones, enabling us to evaluate higher-order terms efficiently. This method is free from the sign problem which quantum Monte Carlo methods sometimes suffer from, and allows one to directly calculate the free energy. We benchmark the TCI impurity solver on an exactly solvable impurity model, and find good agreement with the exact solutions. We also incorporate the TCI impurity solver into the dynamical mean-field theory to solve the Hubbard model, and show that the metal-to-Mott insulator transition is correctly described with comparable accuracy to the Monte Carlo methods. Behind the effectiveness of the TCI approach for quantum impurity problems lies the fact that the integrands in the weak-coupling expansion naturally have a low-rank structure in the tensor-train representation.

cond-mat.str-el↗