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Wu, P.*; 村井 直樹; Li, T.*; 梶本 亮一; 中村 充孝; 古府 麻衣子; 中島 健次; Xia, K.*; Peng, K.*; Zhang, Y.*; et al.
New Journal of Physics (Internet), 25(1), p.013032_1 - 013032_11, 2023/01
被引用回数：0 パーセンタイル：0.02(Physics, Multidisciplinary)The understanding of the lattice dynamics is essential for engineering the thermal transport properties in quantum materials. Based on the canonical point of view, acoustic phonons are believed to be the principal thermal carriers in heat flow. Here, in this work, optical phonons are elucidated to play a pivotal role in determining the lattice thermal conductivity in thermoelectric material SnS by using the state-of-the-art inelastic neutron scattering technique combined with first-principles calculations. Additionally, in contrast to acoustic phonons, optical phonons are observed to exhibit pronounced softening and broadening with temperature. Our observations not only shed light on the significance of the optical phonons in thermal transport but also provide a vital clue to suppress the propagation of optical phonons to optimize the thermoelectric performance of SnS.
; 
SR studies and charge-spin percolation modelSheng, Q.*; 金子 竜也*; Yamakawa, Kohtaro*; Guguchia, Z.*; Gong, Z.*; Zhao, G.*; Dai, G.*; Jin, C.*; Guo, S.*; Fu, L.*; et al.
Physical Review Research (Internet), 4(3), p.033172_1 - 033172_14, 2022/09
A pyrite system NiS
Se
exhibits a bandwidth controlled Mott transition via (S,Se) substitutions in a two-step process: the antiferromagnetic insulator (AFI) to antiferromagnetic metal (AFM) transition at 
0.45 followed by the AFM to paramagnetic metal (PMM) transition at 1.0. Among a few other Mott systems which exhibit similar two-step transitions, Ni(S,Se) is of particular interest because a large intermediate AFM region in the phase diagram would provide unique opportunities to study the interplay between the spin and charge order. By comparing and combining our muon spin relaxation studies and previous neutron scattering studies, here we propose a picture where the spin order is maintained by the percolation of "nonmetallic" localized and dangling Ni moments surrounded by S, while the charge transition from AFI to AFM is caused by the percolation of the conducting paths generated by the Ni-Se-Ni bonds.
K(Zn
Mn
)As studied by X-ray magnetic circular dichroism and resonant inelastic X-ray scattering鈴木 博人*; Zhao, G.*; 岡本 淳*; 坂本 祥哉*; Chen, Z.-Y.*; 野中 洋亮*; 芝田 悟朗; Zhao, K.*; Chen, B.*; Wu, W.-B.*; et al.
Journal of the Physical Society of Japan, 91(6), p.064710_1 - 064710_5, 2022/06
被引用回数：0 パーセンタイル：0(Physics, Multidisciplinary)The magnetic properties and the electronic excitations of the new diluted magnetic semiconductor BaK(ZnMn)As have been studied by X-ray magnetic circular dichroism (XMCD) and resonant inelastic X-ray scattering (RIXS). The sum rule analysis of the XMCD spectra indicates that the Mn atoms are in the high-spin configurations of 
, whereas the presence of competing ferromagnetic and antiferromagnetic interactions between the Mn ions reduces the net spin moment. Based on a comparison of the RIXS line shapes with those of GaMnAs, it is concluded that the ground state of Mn in BaK(ZnMn)As consists of both the 
and 
electron configurations.
Zhao, Y.*; Suzuki, T.*; Iimori, T.*; Kim, H.-W.*; Ahn, J. R.*; 堀尾 眞史*; 佐藤 祐輔*; 深谷 有喜; Kanai, T.*; Okazaki, K.*; et al.
Physical Review B, 105(11), p.115304_1 - 115304_8, 2022/03
被引用回数：0 パーセンタイル：0(Materials Science, Multidisciplinary)本研究では、時間・角度分解光電子分光を用いて、SiC基板上に作製したグラフェン層におけるキャリアダイナミクスについて調べた。光ポンピング後の準結晶グラフェンのディラックバンドでは、電子ドーピングに層依存性が観測された。また、光誘起キャリア輸送量は基板からの距離に依存することがわかった。フラット基板及びステップ基板上の単層グラフェンの結果から、キャリアの生成源は界面のステップ状態に由来することがわかった。本メカニズムは、密度汎関数計算による電子構造を基にした動的モデルにより記述できる。
CuTeO
Shangguan, Y.*; Bao, S.*; Dong, Z.-Y.*; Cai, Z.*; Wang, W.*; Huang, Z.*; Ma, Z.*; Liao, J.*; Zhao, X.*; 梶本 亮一; et al.
Physical Review B, 104(22), p.224430_1 - 224430_8, 2021/12
被引用回数：1 パーセンタイル：14.99(Materials Science, Multidisciplinary)Dimerized magnets forming alternating Heisenberg chains exhibit quantum coherence and entanglement and thus can find potential applications in quantum information and computation. However, magnetic systems typically undergo thermal decoherence at finite temperatures. Here, we show inelastic neutron scattering results on an alternating antiferromagnetic-ferromagnetic chain compound NaCuTeO that the excited quasiparticles can counter thermal decoherence and maintain strong correlations at elevated temperatures. At low temperatures, we observe clear dispersive singlet-triplet excitations arising from the dimers formed along the crystalline 
-axis. The excitation gap is of 
18 meV and the bandwidth is about half of the gap. The band top energy has a weak modulation along the [100] direction, indicative of a small interchain coupling. The gap increases while the bandwidth decreases with increasing temperature, leading to a strong reduction in the available phase space for the triplons. As a result, the Lorentzian-type energy broadening becomes highly asymmetric as the temperature is raised. These results are associated with a strongly correlated state resulting from hard-core constraint and quasiparticle interactions. We consider these results to be not only evidence for strong correlations at finite temperatures in NaCuTeO, but also for the universality of the strongly correlated state in a broad range of quantum magnetic systems.
深谷 有喜; Zhao, Y.*; Kim, H.-W.*; Ahn, J.-R.*; 吹留 博一*; 松田 巌*
Physical Review B, 104(18), p.L180202_1 - L180202_5, 2021/11
被引用回数：4 パーセンタイル：54.6(Materials Science, Multidisciplinary)2層グラフェンはねじれ角に応じて多彩な物性を発現する。30
のねじれ角を持つ2層グラフェンでは、相対論的ディラックフェルミオンを有する二次元準結晶となる。本研究では、陽電子回折を用いて、SiC(0001)基板上に合成したグラフェン準結晶の原子配置を解明した。グラフェン準結晶の層間隔は3.46
であり、通常のAB積層型に比べ0.17広がることがわかった。この値は、グラフェン間のカップリングの強さを決定するうえで重要なパラメーターとなる。
宮部 昌文; 佐藤 志彦; 若井田 育夫; 寺林 稜平*; Sonnenschein, V.*; 富田 英生*; Zhao, Y.*; 坂本 哲夫*
Journal of Physics B; Atomic, Molecular and Optical Physics, 54(14), p.145003_1 - 145003_8, 2021/07
被引用回数：0 パーセンタイル：0.01(Optics)高繰返しチタンサファイアレーザーとウランホローカソードランプを用いて、2色2段階光イオン化光ガルバノ分光法により、ウランの2段階共鳴イオン化スキームの探索を行った。基底状態のウラン原子を1段目のレーザー光で5つの偶パリティ励起準位に遷移させ、2段目のレーザー波長をスキャンすることで多くのイオン化遷移を観察した。1段目のレーザー光を遮断することで、単色・2光子イオン化遷移の同定も行った。これらの結果から、イオン化ポテンシャル(49958.4cm
)から51150cmまでのエネルギー範囲で、50個以上のウランの奇パリティ自動イオン化準位を見出した。得られた準位エネルギーは、これまでに報告されている値と
1cm以内で一致した。これらの結果から、工学院大学や名古屋大学と共同開発している共鳴イオン化スパッタ分析装置を用いた放射性微粒子のウラン分析のための基礎データを取得することができた。
Hao, Y. Q.*; Wo, H. L.*; Gu, Y. M.*; Zhang, X. W.*; Gu, Y. Q.*; Zheng, S. Y.*; Zhao, Y.*; Xu, G. Y.*; Lynn, J. W.*; 中島 健次; et al.
Science China; Physics, Mechanics & Astronomy, 64(3), p.237411_1 - 237411_6, 2021/03
被引用回数：3 パーセンタイル：42.28(Physics, Multidisciplinary)We report thermodynamic and neutron diffraction measurements on the magnetic ordering properties of the honeycomb lattice magnet YbCl. We find YbCl exhibits a N
el type long-range magnetic order at the wavevector (0, 0, 0) below T
= 600 mK. This magnetic order is associated with a small sharp peak in heat capacity and most magnetic entropy release occurs above the magnetic ordering temperature. The magnetic moment lies in-plane, parallel to the monoclinic a-axis, whose magnitude m
= 0.86(3) 
is considerably smaller than the expected fully ordered moment of 2.24 for the doublet crystal-field ground state. The magnetic ordering moment gradually increases with increasing magnetic field perpendicular to the ab-plane, reaching a maximum value of 1.6(2) at 4 T, before it is completely suppressed above 9 T. These results indicate the presence of strong quantum fluctuations in YbCl.
Wang, Y.*; Jia, G.*; Cui, X.*; Zhao, X.*; Zhang, Q.*; Gu, L.*; Zheng, L.*; Li, L. H.*; Wu, Q.*; Singh, D. J.*; et al.
Chem, 7(2), p.436 - 449, 2021/02
被引用回数：115 パーセンタイル：99.78(Chemistry, Multidisciplinary)Nanozymes are promising alternatives to natural enzymes, but their use remains limited owing to poor specificity. Overcoming this is extremely challenging due to the intrinsic structural complexity of these systems. We report theoretical design and experimental realization of a series of heterogeneous molybdenum single-atom nanozymes (named Mo
-N
-C), wherein we find that the peroxidase-like specificity is well regulated by the coordination numbers of single Mo sites. The resulting Mo-N
-C catalyst shows exclusive peroxidase-like behavior. It achieves this behavior via a homolytic pathway, whereas Mo-N-C and Mo-N
-C catalysts have a different heterolytic pathway. The mechanism of this coordination-number-dependent enzymatic specificity is attributed to geometrical structure differences and orientation relationships of the frontier molecular orbitals.
He, H.*; Naeem, M.*; Zhang, F.*; Zhao, Y.*; Harjo S.; 川崎 卓郎; Wang, B.*; Wu, X.*; Lan, S.*; Wu, Z.*; et al.
Nano Letters, 21(3), p.1419 - 1426, 2021/02
被引用回数：22 パーセンタイル：94.96(Chemistry, Multidisciplinary)In CrCoNi, a so-called medium-entropy alloy, an fcc-to-hcp phase transformation has long been anticipated. Here, we report an in situ loading study with neutron diffraction, which revealed a bulk fcc-to-hcp phase transformation in CrCoNi at 15 K under tensile loading. By correlating deformation characteristics of the fcc phase with the development of the hcp phase, it is shown that the nucleation of the hcp phase was triggered by intrinsic stacking faults. The confirmation of a bulk phase transformation adds to the myriads of deformation mechanisms available in CrCoNi, which together underpin the unusually large ductility at low temperatures.
-MgAgSbLi, X.*; Liu, P.-F.*; Zhao, E.*; Zhang, Z.*; Guide, T.*; Le, M. D.*; Avdeev, M.*; 池田 一貴*; 大友 季哉*; 古府 麻衣子; et al.
Nature Communications (Internet), 11, p.942_1 - 942_9, 2020/02
被引用回数：27 パーセンタイル：90.71(Multidisciplinary Sciences)高性能の熱電材料実現には低熱伝導率が必要であり、その機構としてはフォノンの非調和によるもの、あるいは、結晶構造の動的な乱れによるフォノンの散乱によるものがあげられ、どちらも中性子散乱でその現象が明らかにされている。我々は中性子散乱と第一原理計算を組み合わせ、-MgAgSbにおいて、静的な結晶構造の乱れとフォノンの非調和性が組み合わされて極端に低い熱伝導率が実現されているということを見いだしたので、これを報告する。
GeWo, H.*; Wang, Q.*; Shen, Y.*; Zhang, X.*; Hao, Y.*; Feng, Y.*; Shen, S.*; He, Z.*; Pan, B.*; Wang, W.*; et al.
Physical Review Letters, 122(21), p.217003_1 - 217003_5, 2019/05
被引用回数：3 パーセンタイル：33.85(Physics, Multidisciplinary)We report neutron scattering measurements of single-crystalline YFeGe in the normal state, which has the same crystal structure as the 122 family of iron pnictide superconductors. YFeGe does not exhibit long-range magnetic order but exhibits strong spin fluctuations. Like the iron pnictides, YFeGe displays anisotropic stripe-type antiferromagnetic spin fluctuations at (
). More interesting, however, is the observation of strong spin fluctuations at the in-plane ferromagnetic wave vector (
). These ferromagnetic spin fluctuations are isotropic in the (
) plane, whose intensity exceeds that of stripe spin fluctuations. Both the ferromagnetic and stripe spin fluctuations remain gapless down to the lowest measured energies. Our results naturally explain the absence of magnetic order in YFeGe and also imply that the ferromagnetic correlations may be a key ingredient for iron-based materials.
TAs (
= Co,Ni)Tam, D. M.*; Song, Y.*; Man, H.*; Cheung, S. C.*; Yin, Z.*; Lu, X.*; Wang, W.*; Frandsen, B. A.*; Liu, L.*; Gong, Z.*; et al.
Physical Review B, 95(6), p.060505_1 - 060505_6, 2017/02
被引用回数：23 パーセンタイル：73.81(Materials Science, Multidisciplinary)We use neutron diffraction and muon spin relaxation to study the effect of in-plane uniaxial pressure on the antiferromagnetic (AF) orthorhombic phase in BaFeTAs and its Co- and Ni-substituted members near optimal superconductivity. In the low-temperature AF ordered state, uniaxial pressure necessary to detwin the orthorhombic crystals also increases the magnetic ordered moment, reaching an 11% increase under 40 MPa for BaFe
Co
As, and a 15% increase for BaFe
Ni
As. We also observe an increase of the AF ordering temperature (
) of about 0.25 K/MPa in all compounds, consistent with density functional theory calculations that reveal better Fermi surface nesting for itinerant electrons under uniaxial pressure. The doping dependence of the magnetic ordered moment is captured by combining dynamical mean field theory with density functional theory, suggesting that the pressure-induced moment increase near optimal superconductivity is closely related to quantum fluctuations and the nearby electronic nematic phase.
(As
P
) superconductorHu, D.*; Yin, Z.*; Zhang, W.*; Ewings, R. A.*; 池内 和彦*; 中村 充孝; Roessli, B.*; Wei, Y.*; Zhao, L.*; Chen, G.*; et al.
Physical Review B, 94(9), p.094504_1 - 094504_7, 2016/09
被引用回数：15 パーセンタイル：60.2(Materials Science, Multidisciplinary)最適Pドープされた超伝導体BaFe(AsP) (T
=30K)におけるスピン励起の温度及びエネルギー依存性が非弾性中性子散乱実験を使って調べられた。我々の実験結果は密度汎関数理論や動的平均場理論で予想される計算結果と矛盾しておらず、BaFe(AsP)における平均プニクトゲン高さの減少が、電子相関の強さを弱め、磁気励起の有効バンド幅の増加に寄与することを示唆している。
ion conductivity of styrene-ethylene oxide multiblock copolymer electrolytesSarapas, J. M.*; 西条 賢次*; Zhao, Y.; 竹中 幹人*; Tew, G. N.*
Polymers for Advanced Technologies, 27(7), p.946 - 954, 2016/07
被引用回数：9 パーセンタイル：35.75(Polymer Science)A molecular weight series of PS-PEO multiblock copolymers was synthesized by the thiol-norbornene click reaction. These materials were characterized both as neat and lithium 
-trifluorosulfonimide salt loading samples. The neat samples demonstrated the crystallinity increases with PEO contents. The lithium ion-containing samples had broad scattering peaks, half of which displayed disordered scattering. Fitting of disordered scattering peaks by the random phase approximation, yielded the effective Flory-huggins parameter (
) and radius of gyration (
) values that were compared to recent predictive works by Balsara and coworkers. The samples were also analyzed by electrochemical impedance spectroscopy for their potential to conduct lithium ions and those with the volume fraction of PEO larger than 0.5 demonstrated robust conductivity.
Zhao, Y.; 吉田 実留*; 大島 竜也*; 小泉 智*; 陸川 政弘*; Szekely, N.*; Radulescu, A.*; Richter, D.*
Polymer, 86, p.157 - 167, 2016/03
被引用回数：12 パーセンタイル：45.36(Polymer Science)We investigated the structure and the swelling behavior of two synthesized hydrocarbon polymer electrolyte membranes, made of multiblock copolymer poly(sulphonate phenylene)-b-poly(arylene ether ketone) with different block ratios, by using small-angle neutron scattering technique. A scattering maximum (ionomer peak) at high-q range is shown commonly in both dry and wet states, with q being the magnitude of the scattering vector, while it shifts towards low-q region in the wet state due to the swelling of the ionomer domains with water. The swelling effect also results to a second scattering maximum in the middle-q range because of the water-induced microphase separation. The morphology in this q-range was elucidated in terms of Hard-Sphere model with Percus-Yervick interference approximation.
Ghobadi, A. F.*; Letteri, R.*; Parelkar, S. S.*; Zhao, Y.; Chan-Seng, D.*; Emrick, T.*; Jayaraman, A.*
Biomacromolecules, 17(2), p.546 - 557, 2016/02
被引用回数：12 パーセンタイル：50.43(Biochemistry & Molecular Biology)We report the effect of embedding zwitterionic sulfobetaine (SB) groups in cationic comb polymers on polymer-DNA binding complexes (polyplexes), using a combination of experiments and molecular simulations. Ring-opening metathesis polymerization (ROMP) produced comb polymers with tetralysine (K4) and SB pendent groups. Dynamic light scattering, zeta potential measurements, and fluorescence-based experiments, together with coarse-grained molecular dynamics simulations, described the effect of SB groups on the size, shape, surface charge, composition, and DNA binding strength of polyplexes formed using these comb polymers. Experiments and simulations showed that increasing SB composition in the comb polymers decreased polymer-DNA binding strength, while the SB groups distributed throughout the polyplex. This allows polyplexes to maintain a positive surface charge and provide high levels of gene expression in live cells.
Zhao, Y.; 吉村 公男; 猪谷 秀幸*; 山口 進*; 田中 裕久*; 小泉 智*; Szekely, N.*; Radulescu, A.*; Richter, D.*; 前川 康成
Soft Matter, 12(5), p.1567 - 1578, 2016/02
被引用回数：25 パーセンタイル：80.73(Chemistry, Physical)We investigated the interplay between morphology and properties of a new graft-type of anion exchange membranes (AEMs) containing 2-methylimidazolium groups by using contrast variation small angle neutron scattering (SANS) technique. These AEMs prepared by radiation-induced grafting of 2-methyl-1-vinylimidazole and styrene into poly(ethylene-co-tetrafluoroethylene) (ETFE) films, possessed both high alkaline durability and high conductivity. The SANS measurement reveals that these membranes are consisted of three phases: crystalline lamellar and crystallite domains originating from the pristine ETFE, which offer good mechanical properties, hydrophobic amorphous domains, which offer a matrix to create conducting regions, and interconnected hydrated domains, which are composed of the entire graft chains and water and play a key role to promote the conductivity.
Zhao, Y.; 小泉 智*; 近藤 哲男*
JPS Conference Proceedings (Internet), 8, p.033002_1 - 033002_6, 2015/09
Incoherent neutron scattering contribution presents a challenge in the structure characterization of many target materials. In this study, we introduce a method of intermediate angle neutron scattering (IANS) to correct the small angle neutron scattering (SANS) data of the water-swollen microbial cellulose (MC) sample, the system of which has significant incoherent contributions from the water solvent, and we describe the effects that the corrections have on the structural analysis. In order to elucidate the structure, the solvent is changed in situ from protonated water to deuterated water to give different scattering contrast, and this water-exchange process has been followed by time-resolved SANS and IANS simultaneously. Our results show that: (1) after incoherent correction, the structure of MC sample is proved to be invariant with solvents; (2) the scattering intensity depends only on the contrast factor, revealing a two-phase system composed of water-resistant crystalline cellulose phase and hydrated phase; (3) The cellulose crystallites have a constant scattering length density of 2.0
10
cm
, determined by the matching point at which the scattering contrast between the two phases is minimum. This value is consistent with that of 1.910cm estimated from its chemical structure.
Zhao, Y.; 小泉 智
European Polymer Journal, 66, p.437 - 443, 2015/05
被引用回数：2 パーセンタイル：7.27(Polymer Science)In this study, we employed intermediate angle neutron scattering (IANS) technique to correct the small angle neutron scattering (SANS) data of the water-swollen microbial cellulose (MC) sample, the system of which has a significant incoherent contribution from the water solvent, and we described the effects that the corrections have on the structural analysis. In order to elucidate the structure efficiently, the solvent was exchanged in situ between protonated water and deuterated water to give different scattering contrasts, and the water-exchange processes were followed by time-resolved SANS and IANS simultaneously. Our results showed that: (1) after incoherent correction, the microstructure of MC sample was proved to be invariant with solvents; (2) the scattering intensity depended only on the contrast factor, revealing a two-phase system composed of waterresistant crystalline cellulose phase and hydrated amorphous phase; (3) the cellulosecrystallites have a constant scattering length density of 2.010 cm, determined by the matching point at which the scattering contrast between the two phases is minimum. This value was consistent with that of 1.910 cm estimated from its chemical structure.
