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19942026
most citedParallel Tempering Algorithm for Conformational Studies of Biological Molecules

1k citations

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60 papers · 1 filter

cond-mat.mtrl-sci2026

Direct observation of a spin-polarized surface Dirac gap in the antiferromagnetic topological insulator NdBi

Yuto Fukushima, Hiroyuki S. Suzuki, Masayuki Ochi +15

A gapped Dirac cone in antiferromagnetic topological insulators (AFM-TIs) is essential for realizing the quantized anomalous Hall effect, yet its intrinsic magnitude remains contro…

cond-mat.mtrl-sci2026

Direct observation of the electronic structure of even-layer puckered SnTe monolayer films on graphene

Satoru Ichinokura, Shunsuke Tsuda, Kiyohisa Tanaka +1

We report a direct observation of the electronic structure of monolayer SnTe on graphene by angle-resolved photoemission spectroscopy. By combining low-energy electron diffraction,…

cond-mat.mtrl-sci2026

Chiral phonons in sixfold chiral CrSi: Raman spectroscopy and first-principles calculations

Gakuto Kusuno, Shingo Kisanuki, Yusuke Kousaka +2

Chiral phonons have been identified in several chiral crystals, primarily in those with trigonal symmetry and threefold screw axes. In this study, chiral phonons in CrSi, a chi…

cond-mat.mtrl-sci2026★ 10 cited

Comprehensive Molecular-level Understanding of MgO Hydration through Computational Chemistry

Taichi Inagaki, Miho Hatanaka

The hydration of magnesium oxide (MgO) to magnesium hydroxide (Mg(OH)) is a fundamental solid-surface chemical reaction with significant implications for materials science. Yet…

cond-mat.mtrl-sci2025★ 2 cited

Determining the density of in-gap states in organic semiconductors: A pitfall of photoelectron yield spectroscopy

Ryotaro Nakazawa, Masaya Kitaoka, Ryota Kaimori +4

Accurate determination of low-density electronic states in the bandgap (in-gap states) is crucial for optimizing the performance of organic optoelectronic devices. Derivative photo…

cond-mat.mtrl-sci2025★ 2 cited

Raman Optical Activity Induced by Ferroaxial Order in NiTiO

Gakuto Kusuno, Takeshi Hayashida, Takayuki Nagai +4

Raman optical activity (ROA), the dependence of Raman intensity on the circular polarization of incident and scattered light, has traditionally been observed in chiral molecules an…

cond-mat.mtrl-sci2025★ 7 cited

Electron-Chiral Phonon Coupling, Crystal Angular Momentum, and Phonon Chirality

Tomomi Tateishi, Akihito Kato, Jun-ichiro Kishine

We explicitly derive the wavefunctions of chiral phonons propagating along the helical axis in chiral crystals and clarify the characteristics of electron-phonon interactions in ch…

cond-mat.mtrl-sci2024★ 2 cited

Magnetic resonance frequency of two-sublattice ferrimagnet with magnetic compensation temperature

Kouki Mikuni, Toshiki Hiraoka, Takumi Kuramoto +5

Ferrimagnetic materials with a compensation temperature have recently attracted interest because of their unique combination of ferromagnetic and antiferromagnetic properties. Howe…

cond-mat.mtrl-sci2024★ 26 cited

Emergence of chirality by multipole interconversion

Hiroaki Kusunose, Jun-ichiro Kishine, Hiroshi M. Yamamoto

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. Elect…

cond-mat.mtrl-sci2024★ 33 cited

Quantification of chirality based on electric toroidal monopole

Akane Inda, Rikuto Oiwa, Satoru Hayami +2

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…

cond-mat.mtrl-sci2024★ 68 cited

Chirality-Induced Selectivity of Phonon Angular Momenta in Chiral Quartz Crystals

Kazuki Ohe, Hiroaki Shishido, Masaki Kato +3

A generation, propagation, and transfer of phonon angular momenta are examined on thermal transport in chiral insulative and diamagnetic crystals of -quartz. We found that therm…

cond-mat.mtrl-sci2023★ 2 cited

Sublattice-selective inverse Faraday effect in ferrimagnetic rare-earth iron garnet

Toshiki Hiraoka, Ryo Kainuma, Keita Matsumoto +2

We performed time-resolved pump--probe measurements using rare-earth iron garnet \ce{Gd3/2Yb1/2BiFe5O12} as a two-sublattice ferrimagnet. We measured the initial phases of the magn…

cond-mat.mtrl-sci2023★ 11 cited

Spin polarization gate device based on the chirality-induced spin selectivity and robust nonlocal spin polarization

Hiroaki Shishido, Yuta Hosaka, Kenta Monden +4

Nonlocal spin polarization phenomena are thoroughly investigated in the devices made of chiral metallic single crystals of CrNbS and NbSi as well as of polycrystalline…

cond-mat.mtrl-sci2023★ 11 cited

Note on Angular Momentum of Phonons in Chiral Crystals

Akihito Kato, Jun-ichiro Kishine

Phonon angular momentum in chiral materials has been widely studied in spintronics and condensed matter physics. In chiral crystals, this is not the conserved quantity in contrast…

cond-mat.mtrl-sci2023★ 5 cited

Roughness-induced magnetic decoupling at organic-inorganic interface

Hiroki Ono, Yoshitaka Umeda, Kaito Yoshida +8

We have investigated structural, electronic and magnetic properties of HPc on FeN/Fe using low-energy electron diffraction and soft x-ray absorption spectroscopy/x-ray magn…

cond-mat.mtrl-sci2023★ 4 cited

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

Michi-To Suzuki, Takuya Nomoto, Eiaki V. Morooka +2

The magnetic structure is crucial in determining the physical properties inherent in magnetic compounds. We present an adequate descriptor for magnetic structure with proper magnet…

cond-mat.mtrl-sci2023★ 254 cited

Observation of plaid-like spin splitting in a noncoplanar antiferromagnet

Yu-Peng Zhu, Xiaobing Chen, Xiang-Rui Liu +27

Spatial, momentum and energy separation of electronic spins in condensed matter systems guides the development of novel devices where spin-polarized current is generated and manipu…

cond-mat.mtrl-sci2023★ 3 cited

Sub-millimeter propagation of antiferromagnetic magnons via magnon-photon coupling

Ryo Kainuma, Keita Matsumoto, Toshimitsu Ito +1

For the realization of magnon-based current-free technologies, referred to as magnonics, all-optical control of magnons is an important technique for both fundamental research and…

cond-mat.mtrl-sci2022★ 1 cited

Photo-induced nonlinear band shift and valence transition in SmS

Yitong Chen, Takuto Nakamura, Hiroshi Watanabe +12

The photo-induced band structure variation of a rare-earth-based semiconductor, samarium monosulfide (SmS), was investigated using high-harmonic-generation laser-based time-resolve…

cond-mat.mtrl-sci2022★ 3 cited

Semiconducting Electronic Structure of the Ferromagnetic Spinel Revealed by Soft-X-Ray Angle-Resolved Photoemission Spectroscopy

Hiroaki Tanaka, Andrei V. Telegin, Yurii P. Sukhorukov +12

We study the electronic structure of the ferromagnetic spinel by soft-x-ray angle-resolved photoemission spectroscopy (SX-ARPES) and first-p…

cond-mat.mtrl-sci2022★ 54 cited

On the definition of chirality and enantioselective fields

Jun-ichiro Kishine, Hiroaki Kusunose, Hiroshi M. Yamamoto

In solid state physics, any symmetry breaking is known to be associated with emergence of an order parameter. However, the order parameter for molecular and crystal chirality, whic…

cond-mat.mtrl-sci2022★ 36 cited

Large anomalous Hall effect induced by weak ferromagnetism in the noncentrosymmetric antiferromagnet

Hiroaki Tanaka, Shota Okazaki, Kenta Kuroda +13

We study the mechanism of the exceptionally large anomalous Hall effect (AHE) in the noncentrosymmetric antiferromagnet by angle-resolved pho…

cond-mat.mtrl-sci2021★ 2 cited

Fluctuated spin-orbital texture of Rashba-split surface states in real and reciprocal space

Takuto Nakamura, Yoshiyuki Ohtsubo, Ayumi Harasawa +4

Spin-orbit interaction (SOI) in low-dimensional systems, namely Rashba systems and the edge states of topological materials, is extensively studied in this decade as a promising so…

cond-mat.mtrl-sci2021★ 14 cited

Dark discrete breather modes in monoaxial chiral helimagnet with easy-plane anisotropy

I. G. Bostrem, E. G. Ekomasov, J. Kishine +2

Nonlinearity and discreteness are two pivotal factors for an emergence of discrete breather excitations in various media. We argue that these requirements are met in the forced fer…