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Local structure of functional solids

社本 真一

Journal of the Physical Society of Japan, 88(8), p.081008_1 - 081008_11, 2019/08

The local structure study reveals important aspects of the physical properties, because it is closely related to the electronic structure. Some neutron total scattering results are reviewed to show the local functional properties of solids from optical recording to negative thermal expansion to Mott transition materials.


Measurement of neutron scattering cross section of nano-diamond with particle diameter of approximately 5 nm in energy range of 0.2 meV to 100 meV

勅使河原 誠; 土川 雄介*; 市川 豪*; 高田 慎一; 三島 賢二*; 原田 正英; 大井 元貴; 河村 幸彦*; 甲斐 哲也; 河村 聖子; et al.

Nuclear Instruments and Methods in Physics Research A, 929, p.113 - 120, 2019/06

ナノダイアモンドは、冷中性子以下のエネルギーにおける反射材として注目されている。ナノダイアモンドを用いた中性子源の高度化には、断面積データの整備が必要である。そのため、この論文では、中性子の透過率の測定から0.2meVから100meVの範囲で全断面積を測定した結果を報告する。測定した全断面積は、エネルギーが低くなるにつれて大きくなり、グラファイトと比較すると0.2meVで約2桁以上高くなることが分かった。その全断面積に占める非弾性散乱の寄与を調べるため、中性子のエネルギー1.2, 1.5, 1.9及び5.9meVで中性子非弾性散乱実験を行った。その結果、測定したエネルギーにおいて、全断面積に占める非弾性散乱の寄与がほぼ無視できることも分かった。さらに、中性子小角散乱実験の結果から、全断面積の高くなる要因として、前方方向、いわゆる小角方向への散乱の寄与が高いことが示された。


Electronic structure in heavy fermion compound UPd$$_2$$Al$$_3$$ through directional Compton profile measurement

小泉 昭久*; 久保 康則*; 山本 悦嗣; 芳賀 芳範; 櫻井 吉晴*

Journal of the Physical Society of Japan, 88(3), p.034714_1 - 034714_6, 2019/03

 パーセンタイル:100(Physics, Multidisciplinary)

Directional Compton profiles of a heavy fermion compound UPd$$_2$$Al$$_3$$ are measured in the basal plane of the hexagonal lattice. A remarkable change of the two-dimensional electron occupation number densities has been observed between 20 K and 100 K. Obtained results are attributed to the modification of the 5$$f$$ electronic states.


Quasielastic neutron scattering of brucite to analyse hydrogen transport on the atomic scale

奥地 拓生*; 豊岡 尚敬*; Purevjav, N.*; 柴田 薫

Journal of Applied Crystallography, 51, p.1564 - 1570, 2018/12

 パーセンタイル:100(Chemistry, Multidisciplinary)

中性子準弾性散乱(QENS)は、鉱物結晶格子内で起こる原子スケール水素拡散プロセスを分析するための新規かつ有効な方法であることが実証されている。この方法は、凝縮体中の拡散性が高い水素原子または水分子の拡散頻度および距離を分析するために敏感であると以前から考えられていた。本論文では、水酸基として結晶格子に結合している非常に遅い運動の水素原子の拡散運動を分析する応用研究の結果が示されている。ブルーサイト鉱物( brucite)、Mg(OH)$$_{2}$$では、水素原子の単一の二次元層面内でのジャンプとそれに最も近い次の層へのジャンプの2種類の水素拡散プロセスが観察された。ブルーサイトの結晶構造内で観察されるこれらの拡散プロセスは、層状構造を有する様々な種類の酸化物およびミネラル内で起こる水素拡散現象にQENS測定が適用可能であることを示している。


Localized 5$$f^2$$ states in UPd$$_5$$Al$$_2$$ and valence crossover in the Vicinity of Heavy-Fermion superconductivity

目時 直人; 芳賀 芳範; 山本 悦嗣; 松田 雅昌*

Journal of the Physical Society of Japan, 87(11), p.114712_1 - 114712_9, 2018/11

 パーセンタイル:100(Physics, Multidisciplinary)



Thermal behavior, structure, dynamic properties of aqueous glycine solutions confined in mesoporous silica MCM-41 investigated by X-ray diffraction and quasi-elastic neutron scattering

吉田 亨次*; 井上 拓也*; 鳥越 基克*; 山田 武*; 柴田 薫; 山口 敏男*

Journal of Chemical Physics, 149(12), p.124502_1 - 124502_10, 2018/09

 パーセンタイル:100(Chemistry, Physical)

異なる幾つかの、グリシン濃度, pH、および充填率(=グリシン溶液の質量/MCM-41の乾燥質量))をパラメーターとして、メソポーラスシリカ(MCM-41)に閉じ込められたグリシン水溶液の示差走査熱量測定、X線回折および準弾性中性子散乱(QENS)を305-180Kの温度範囲で実施して、グリシン水溶液の熱的挙動, 構造、および動的特性に対する閉じ込め効果を検討した。


$$f$$-electron states in PrPd$$_5$$Al$$_2$$

目時 直人; 山内 宏樹; 鈴木 博之*; 北澤 英明*; 萩原 正人*; 益田 隆嗣*; Aczel, A. A.*; Chi, S.*; Hong, T.*; 松田 雅昌*; et al.

Journal of the Physical Society of Japan, 87(9), p.094704_1 - 094704_8, 2018/09

 被引用回数:3 パーセンタイル:20.01(Physics, Multidisciplinary)



Dynamic properties of nano-confined water in an ionic liquid

阿部 洋*; 山田 武*; 柴田 薫

Journal of Molecular Liquids, 264, p.54 - 57, 2018/08

 被引用回数:2 パーセンタイル:37.68(Chemistry, Physical)

Nano-confined water (a water pocket) was spontaneously formed using an ionic liquid (IL), 1-butyl-3-methylimidazolium nitrate ([C$$_{4}$$mim][NO$$_{3}$$]), in [C$$_{4}$$mim][NO$$_{3}$$]-H$$_{2}$$O and [C$$_{4}$$mim][NO$$_{3}$$]-D$$_{2}$$O mixtures. The static average size of the water pocket in [C$$_{4}$$mim][NO$$_{3}$$]-80 mol% D$$_{2}$$O has been estimated to be around 20${AA}$, determined via small-angle neutron scattering measurements. In this study, the dynamics of the water pocket in the IL were directly examined using incoherent quasielastic neutron scattering. Using the H-D difference of a neutron incoherent scattering cross section, the extent of the diffusion of the water molecules in the water pocket was determined. The water pocket could be characterized due to the slow dynamics of the water compared with those of bulk water.


Neutron inelastic scattering study of the $$f$$-electron states in NdPd$$_5$$Al$$_2$$

目時 直人; 山内 宏樹; 鈴木 博之*; 北澤 英明*; 蒲沢 和也*; 池内 和彦*; 梶本 亮一; 中村 充孝; 稲村 泰弘

Journal of the Physical Society of Japan, 87(8), p.084708_1 - 084708_7, 2018/08

 被引用回数:3 パーセンタイル:20.01(Physics, Multidisciplinary)

$$f$$電子化合物NdPd$$_5$$Al$$_2$$の中性子散乱による研究を行った。0K, 35.4K, 88.3K, 101.5K, and 198.8Kの結晶場レベルを励起スペクトルから明らかにした。$$Gamma_6$$基底状態は主として$$J_z=pm9/2$$の軌道によって構成され、これが大きな負の$$B_{20}=-1.4$$Kと一軸異方性を生じる。結晶場から計算された磁気モーメント, 帯磁率, 磁化曲線, 比熱は実験をよく説明する。CePd$$_5$$Al$$_2$$やPrPd$$_5$$Al$$_2$$と共通した電荷分布の存在は同じ構造を持つアクチノイド化合物においても局在的な性質が重要で、UPd$$_5$$Al$$_2$$の局在5$$f$$電子状態やNpPd$$_5$$Al$$_2$$の重い電子系超伝導にその価数の不安定性が重要な役割をすることを示している。


Geant4 physics process for elastic scattering of $$gamma$$-rays

Omer, M.; 羽島 良一*

JAEA-Data/Code 2018-007, 32 Pages, 2018/06




Inelastic X-ray scattering of $$RT$$Al$$_3$$ ($$R$$ = La, Ce, $$T$$ = Cu, Au)

筒井 智嗣*; 金子 耕士; Pospisil, J.; 芳賀 芳範

Physica B; Condensed Matter, 536, p.24 - 27, 2018/05

 パーセンタイル:100(Physics, Condensed Matter)

Inelastic X-ray scattering (IXS) experiments of RTAl$$_3$$ ($$R$$ = La Ce, $$T$$ = Cu, Au) were carried out at 300 and 5.5 K. The spectra between LaCuAl$$_3$$ and CeCuAl$$_3$$ (LaAuAl$$_3$$ and CeAuAl$$_3$$) are nearly identical at both temperatures except for temperature factors such as temperature dependence of Bose factor in IXS spectra and effect on thermal expansion. This means that no evident temperature dependence of IXS spectra was observed in CeTAl$$_3$$ ($$T$$ = Cu, Au).


Dynamic of organic species in organo-clay/polypropyrene composite by quesi-elastic neutron scattering

福嶋 喜章*; 山田 武*; 田村 堅志*; 柴田 薫

Applied Clay Science, 155, p.15 - 19, 2018/04

 被引用回数:1 パーセンタイル:53.08(Chemistry, Physical)



Liquid-like thermal conduction in intercalated layered crystalline solids

Li, B.; Wang, H.*; 川北 至信; Zhang, Q.*; Feygenson, M.*; Yu, H. L.*; Wu, D.*; 尾原 幸治*; 菊地 龍弥*; 柴田 薫; et al.

Nature Materials, 17(3), p.226 - 230, 2018/03

 被引用回数:18 パーセンタイル:1.81(Chemistry, Physical)

As a generic property, all substances transfer heat through microscopic collisions of constituent particles. A solid conducts heat through both transverse and longitudinal acoustic phonons, but a liquid employs only longitudinal vibrations. As a result, a solid is usually thermally more conductive than a liquid. In canonical viewpoints, such a difference also serves as the dynamic signature distinguishing a solid from a liquid. Here, we report liquid-like thermal conduction observed in the crystalline AgCrSe$$_{2}$$. The transverse acoustic phonons are completely suppressed by the ultrafast dynamic disorder while the longitudinal acoustic phonons are strongly scattered but survive, and are thus responsible for the intrinsically ultralow thermal conductivity. This scenario is applicable to a wide variety of layered compounds with heavy intercalants in the van der Waals gaps, manifesting a broad implication on suppressing thermal conduction. These microscopic insights might reshape the fundamental understanding on thermal transport properties of matter and open up a general opportunity to optimize performances of thermoelectrics.


ダイナミクス解析装置DNAの実用化; 背面反射結晶アナライザー型高エネルギー分解能中性子分光器の系譜

柴田 薫

波紋, 28(1), p.26 - 28, 2018/02



Effects of grain size on ultrasonic attenuation in type 316L stainless steel

Wan, T.; 直江 崇; 涌井 隆; 二川 正敏; 大林 寛生; 佐々 敏信

Materials, 10(7), p.753_1 - 753_17, 2017/07

 被引用回数:3 パーセンタイル:60.19(Materials Science, Multidisciplinary)

A lead bismuth eutectic (LBE) spallation target will be installed in the Target Test Facility (TEF-T) in the Japan Proton Accelerator Research Complex (J-PARC). The spallation target vessel filled with LBE is made of type 316 stainless steel. However, various damages, such as erosion/corrosion damage and liquid metal embrittlement caused by contact with flowing LBE at high temperature, and irradiation hardening caused by protons and neutrons, may be inflicted on the target vessel, which will deteriorate the steel and might break the vessel. To monitor the target vessel for prevention of an accident, an ultrasonic technique has been proposed to establish off-line evaluation for estimating vessel material status during the target maintenance period. Basic R&D must be carried out to clarify the dependency of ultrasonic wave propagation behavior on material microstructures and obtain fundamental knowledge. As a first step, ultrasonic waves scattered by the grains of type 316 stainless steel are investigated using new experimental and numerical approaches in the present study. The results show that the grain size can be evaluated exactly and quantitatively by calculating the attenuation coefficient of the ultrasonic waves scattered by the grains. The results also show that the scattering regimes of ultrasonic waves depend heavily on the ratio of wavelength to average grain size, and are dominated by grains of extraordinarily large size along the wave propagation path.


Effects of $$gamma$$-ray polarization in NRF-based nondestructive assay of nuclear materials

Omer, M.; 羽島 良一*; 静間 俊行*; 小泉 光生

Proceedings of INMM 58th Annual Meeting (Internet), 7 Pages, 2017/07



Polar rotor scattering as atomic-level origin of low mobility and thermal conductivity of perovskite CH$$_{3}$$NH$$_{3}$$PbI$$_{3}$$

Li, B.; 川北 至信; Liu, Y.*; Wang, M.*; 松浦 直人*; 柴田 薫; 河村 聖子; 山田 武*; Lin, S.*; 中島 健次; et al.

Nature Communications (Internet), 8, p.16086_1 - 16086_9, 2017/06

 被引用回数:24 パーセンタイル:5.65(Multidisciplinary Sciences)

Perovskite CH$$_{3}$$NH$$_{3}$$PbI$$_{3}$$ exhibits outstanding photovoltaic performances, but the understanding of the atomic motions remains inadequate even though they take a fundamental role in transport properties. Here, we present a complete atomic dynamic picture consisting of molecular jumping rotational modes and phonons, which is established by carrying out high-resolution time-of-flight quasi-elastic and inelastic neutron scattering measurements in a wide energy window ranging from 0.0036 to 54 meV on a large single crystal sample, respectively. The ultrafast orientational disorder of molecular dipoles, activated at approximately 165 K, acts as an additional scattering source for optical phonons as well as for charge carriers. It is revealed that acoustic phonons dominate the thermal transport, rather than optical phonons due to sub-picosecond lifetimes. These microscopic insights provide a solid standing point, on which perovskite solar cells can be understood more accurately and their performances are perhaps further optimized.


Energy-resolved small-angle neutron scattering from steel

大場 洋次郎*; 諸岡 聡; 大石 一城*; 鈴木 淳市*; 高田 慎一; 佐藤 信浩*; 井上 倫太郎*; 土山 聡宏*; Gilbert, E. P.*; 杉山 正明*

Journal of Applied Crystallography, 50(2), p.334 - 339, 2017/04

 被引用回数:2 パーセンタイル:51.3(Chemistry, Multidisciplinary)

Recent progress of pulsed neutron sources has enabled energy-resolved analysis of neutron attenuation spectra, which include information on neutron scattering. In this study, a new analysis technique for small-angle neutron scattering (SANS) is demonstrated. A clear difference is observed in the neutron attenuation spectra between steels with different nanostructures; this difference can be understood as arising from attenuation due to SANS. The neutron attenuation spectra, calculated from the corresponding SANS profiles, agree well with the experimentally observed attenuation spectra. This result indicates that measurement of neutron attenuation spectra may enable the development of a novel experimental technique, i.e. energy-resolved SANS (ESANS).


Impurity effects in the microscopic elastic properties of polycrystalline Mg-Zn-Y alloys with a synchronised long-period stacking ordered phase

細川 伸也*; 木村 耕治*; 山崎 倫昭*; 河村 能人*; 吉田 亨次*; 乾 雅祝*; 筒井 智嗣*; Baron, A. Q. R.*; 川北 至信; 伊藤 晋一*

Journal of Alloys and Compounds, 695, p.426 - 432, 2017/02

 被引用回数:2 パーセンタイル:60.17(Chemistry, Physical)

Inelastic X-ray scattering (IXS) was performed on polycrystalline Mg$$_{97}$$Zn$$_1$$Y$$_2$$ and Mg$$_{85}$$Zn$$_6$$Y$$_9$$ alloys with synchronized long-period stacking ordered (LPSO) phase for investigating the impurity effects in the microscopic elastic properties. Inelastic neutron scattering (INS) was also carried out on the former alloy. LA modes were clearly observed in the IXS spectra of both the LPSO alloys, while TA modes can mainly be detected in the second Brillouin zone. Broader inelastic signals and larger quasielastic peaks are characteristic due to the phonon scattering by the Zn/Y impurities. Only the TA excitation energies increase by adding the impurities, which indicates a harder stiffness of the bond angles relating to the L1$$_2$$-type clusters in the LPSO alloys. New dispersion-less excitation modes are observed at about 10 meV by adding the Zn/Y impurities. By comparing with the INS data, the contributions of the impurities to these excitations are discussed using differences in the scattering cross-sections between neutrons and X-rays.


Skew scattering from correlated systems; Impurities and collective excitations in the spin Hall effect

Ziman, T.*; Gu, B.; 前川 禎通

Journal of the Physical Society of Japan, 86(1), p.011005_1 - 011005_8, 2017/01

 被引用回数:1 パーセンタイル:71.15(Physics, Multidisciplinary)

We examine the enhancement of the spin Hall effect due to resonant skew scattering induced by electron correlations. For single-impurity scattering, local Coulomb correlations may significantly change the observed spin Hall angle. There may be additional effects because of the special atomic environment close to a surface: extra degeneracies compared to the bulk, enhanced correlations that move the relative $$d$$- or $$f$$-levels, and interference effects coming from the lower local dimension. Our results may explain the very large spin Hall angle observed in CuBi alloys. We discuss the impact on the spin Hall effect from cooperative effects, firstly in an itinerant ferromagnet where there is an anomaly near the Curie temperature originating from high-order spin fluctuations. The second case considered is a metallic spin glass, where exchange via slowly fluctuating magnetic moments may lead to the precession of an injected spin current.

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