arXiv subjects

Ibuki Terada

Publications and source records attributed to Ibuki Terada.

6 recordsLinked to original sources

arXiv2026

Optical anisotropy and electronic states in the pleochroic material Ca$_3$ReO$_5$Cl$_2$

Pleochroism is a type of optical anisotropy in which the apparent color of a material varies depending on the polarization and propagation direction of incident light. The oxychloride compound Ca$_3$ReO$_5$Cl$_2$ has recently attracted attention due to its pronounced pleochroism. The paramagnetic state of this compound, characterized by localized Re 5$d$ electrons, is challenging to describe within conventional first-principles methods. In this study, we investigate the optical anisotropy in Ca$_3$ReO$_5$Cl$_2$ using first-principles calculations, with particular focus on the relationship between the optical spectra and electronic states. We employ a ferromagnetically ordered state to effectively capture the localized character of the Re 5$d$ electrons. The calculated dielectric function and absorption coefficient qualitatively reproduce the experimentally observed peak structures. An orbital-resolved analysis indicates that the characteristic optical transitions associated with the pleochroism predominantly involve Re-$d$-dominated electronic states, highlighting the key role of the Re $d$ electrons in the pleochroic optical response of Ca$_3$ReO$_5$Cl$_2$.

cond-mat.mtrl-sci↗

arXiv2026

Nodal-line-enhanced quantum geometric effects: anomalous and nonlinear Hall effects in the parity-mixed antiferromagnet NbMnP

The anomalous Hall effect has been understood in terms of the geometric nature of Bloch bands and impurity scattering, and has been observed in a wide variety of magnetic materials such as ferromagnets and antiferromagnets. Recently, a large anomalous Hall effect was reported in the noncollinear antiferromagnetic metal NbMnP whose magnetic order is a mixture of the even-parity and the odd-parity magnetic components. Such a magnetic structure is expected to exhibit the anomalous Hall effect and the nonlinear Hall effect from the symmetry breaking of the antiferromagnet ordering. Here, we theoretically investigate the intrinsic anomalous and nonlinear Hall effect of NbMnP induced by the quantum geometry of Bloch band using the first-principles calculation and the Wannier interpolation method. We found that the intrinsic Hall response of NbMnP is predominantly governed by the strongly enhanced Berry curvature and Berry-connection-polarization dipole on a specific mirror plane. These enhanced geometric quantities originate from the spin-orbit-coupling-induced gap openings along the nodal lines. Our results indicate that NbMnP serves as a model system for investigating transport phenomena originating from nodal-lines in parity-mixed antiferromagnets.

cond-mat.mes-hall↗

arXiv2025

Wannier based analysis of the direct-indirect bandgap transition by stacking MoS$_2$ layers

Molybdenum disulfide (MoS$_2$), a layered van der Waals material, has attracted considerable attention as a promising alternative to graphene for applications in field-effect transistors and nanophotonic devices because of its sizable band gap, high carrier mobility, large on/off ratio, and strong photoluminescence efficiency. A particularly intriguing property of MoS$_2$ is the transition of its band gap character with layer thickness: while the monolayer exhibits a direct gap, the band gap becomes indirect in multilayer and bulk forms.In this study, we clarify the microscopic mechanism underlying this transition. Focusing on the roles of atomic orbitals and interlayer interactions, we perform an analysis combining first-principles calculations with a Wannier-based model. Although interlayer $p_z$--$p_z$ coupling between neighboring sulfur atoms has been recognized as a key factor in this transition, we find that a complete quantitative description additionally requires interlayer $p_z$--$p_x$ and $p_z$--$p_y$ couplings between neighboring sulfur atoms. These findings highlight the importance of both out-of-plane and in-plane orbital contributions in governing the electronic structure of layered MoS$_2$, providing deeper insight into its band gap engineering for future device applications.

cond-mat.mtrl-sci↗

arXiv2024

Problem of nonlinear conductivity within relaxation time approximation in noncentrosymmetric insulators

With the recent advancements in laser technology, there has been increasing interest in nonlinear and nonperturbative phenomena such as nonreciprocal transport, the nonlinear Hall effect, and nonlinear optical responses. When analyzing the nonequilibrium steady state, the relaxation time approximation (RTA) in the quantum kinetic equation has been widely used. However, recent studies have highlighted problems with the use of RTA that require careful consideration. In a study published in Phys. Rev. B, $\textbf{109}$, L180302 (2024), we revealed that the RTA has a flaw in predicting finite linear conductivity even for insulators under weak electric fields, and improved the RTA based on the Redfield equation. In this paper, we further extend our approach to nonlinear responses. This approach provides a simple alternative to RTA and is expected to be useful for the study of nonlinear and nonequilibrium phenomena.

cond-mat.mes-hall↗

arXiv2024

Multi-tunneling effect of nonreciprocal Landau-Zener tunneling: Insights from DC field responses

Recent advancements in laser technology have spurred growing interest in nonlinear and nonequilibrium phenomena. Here, we investigate the geometric aspects of quantum tunneling and the nonreciprocal response, particularly focusing on the shift vector, in noncentrosymmetric insulators under a strong DC electric field. In insulators under a strong electric field, electrons undergoing Bloch oscillations interfere with each other by passing through different paths via Landau-Zener tunneling. We found that the interference effect due to multi-tunneling causes the oscillating nonreciprocal response that is significantly amplified with increasing electric field intensity. We also clarified the role of the shift vector in the interference conditions through an analysis of the nonequilibrium steady state. These results will contribute significantly to advancing a systematic understanding of quantum geometric effects in the nonperturbative regime.

cond-mat.mes-hall↗

arXiv2024

Unexpected linear conductivity in Landau-Zener model: limitations and improvements of the relaxation time approximation in the quantum master equation

The nonequilibrium steady states of quantum materials have many challenges. Here, we highlight issues with the relaxation time approximation (RTA) for the DC conductivity in insulating systems. The RTA to the quantum master equation (QME) is frequently employed as a simple method, yet this phenomenological approach is exposed as a fatal approximation, displaying metallic DC conductivity in insulating systems within the linear response regime. We find that the unexpected metallic behavior is caused by the fact that the density matrix in the RTA incompletely incorporates the first order of the external field. To solve this problem, we have derived a new calculation scheme based on the QME that ensure correct behavior in low electric fields. Our method reproduces well the overall features of the exact electric currents in the whole field region. It is not time-consuming, and its application to lattice systems is straightforward. This method will encourage progress in this research area as a simple way to more accurately describe nonequilibrium steady states.

cond-mat.mes-hall↗