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Se studied by inelastic neutron scattering石角 元志*; 樹神 克明; 梶本 亮一; 中村 充孝; 稲村 泰弘; 池内 和彦*; Ji, S.*; 新井 正敏*; 社本 真一
Condensed Matter (Internet), 4(3), p.69_1 - 69_10, 2019/09
中性子非弾性散乱により観測された磁気共鳴モードのQ依存性という初めての手法で、FeTeSeの超伝導対称性がs
波であることを実験的に示した。
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.
tuned by pressure and Ni substitutionGuguchia, Z.*; Frandsen, B. A.*; Santos-Cottin, D.*; 社本 真一; Gauzzi, A.*; 植村 泰朋*; 他12名*
Physical Review Materials (Internet), 3(4), p.045001_1 - 045001_9, 2019/04
SRを用いて、BaCoSを圧力とNi置換でモット転移を調整し、量子相転移の様子を調べた。その結果、ゼロ温度で両方の量子相転移が一次転移であることがわかった。
iron-based superconductor LaFePO
石角 元志*; 社本 真一; 樹神 克明; 梶本 亮一; 中村 充孝; Hong, T.*; Mutka, H.*
Scientific Reports (Internet), 8, p.16343_1 - 16343_6, 2018/11
パーセンタイル：100(Multidisciplinary Sciences)磁気揺らぎはBCS理論に従わない非従来型超伝導で最も可能性のある機構として重要な役割を担うと考えられてきた。今回、これまで磁気ゆらぎが見つかっていない5Kという低い超伝導転移温度の鉄リン系超伝導体LaFePOで、30-50meVの高エネルギーで磁気ゆらぎを見つけた。これはこれまで考えられてきた高エネルギー磁気揺らぎで、高い超伝導転移温度になるという考えとは矛盾することから、超伝導機構の理解に向けて重要な発見である。
studied by neutron scattering and their relation with thermal conductivities梶本 亮一; 中村 充孝; 村井 直樹; 社本 真一; 本田 孝志*; 池田 一貴*; 大友 季哉*; 畑 博人*; 江藤 貴弘*; 野田 正亮*; et al.
Scientific Reports (Internet), 8(1), p.9651_1 - 9651_8, 2018/06
被引用回数：2 パーセンタイル：41.94(Multidisciplinary Sciences)The electron-doped SrTiO exhibits good thermoelectric properties, which makes this material a promising candidate of an n-type oxide thermoelectric device. Recent studies indicated that only a few percent co-doping of La and Mn in SrTiO substantially reduces the thermal conductivity, thereby greatly improving the thermoelectric figure of merit at room temperature. Our time-of-flight neutron scattering studies revealed that by doping both La and Mn into SrTiO, the inelastic scattering spectrum shows a momentum-independent increase in the low-energy spectral weight approximately below 10 meV. The increase in the low-energy spectral weight exhibits a clear correlation with thermal conductivity. The correlation is attributed to dynamical and local structural fluctuations caused by the Jahn-Teller instability in Mn
ions coupled with the incipient ferroelectric nature of SrTiO, as the origin of the low thermal conductivity.
社本 真一; 伊藤 孝; 大西 弘明; 山内 宏樹; 稲村 泰弘; 松浦 直人*; 赤津 光洋*; 樹神 克明; 中尾 朗子*; 茂吉 武人*; et al.
Physical Review B, 97(5), p.054429_1 - 054429_9, 2018/02
被引用回数：1 パーセンタイル：100(Materials Science, Multidisciplinary)イットリウム鉄ガーネットの核および磁気構造と全マグノン分散を中性子散乱により調べた。低エネルギーの分散は強磁性マグノンで期待されるように14meVまで2次関数の分散を示した。
積分した動的磁化率
"(
)の虚部は低エネルギーで平方根のエネルギー依存性を示した。"()から絶対値でマグノン状態密度を求めた。その値は理論的に予想されるマグノン分散でひとつのカラリティーモードに対応する。
樹神 克明; 池田 一貴*; 社本 真一; 大友 季哉*
Journal of the Physical Society of Japan, 86(12), p.124708_1 - 124708_8, 2017/12
パーセンタイル：100(Physics, Multidisciplinary)We derive an alternative equation of magnetic pair distribution function (mPDF) related to the mPDF equation given in a preceding study (B. A. Frandsen, X. Yang, and S. J. L. Billinge, Acta Crystallogr. A, 
, 3 (2014)) for quantitative analysis of realistic experimental data. The additional term related to spontaneous magnetization included in the equation is particularly important for the mPDF analysis of ferromagnetic materials. Quantitative estimation of mPDF from neutron diffraction data is also shown. The experimental mPDFs estimated from the neutron diffraction data of the ferromagnet MnSb and the antiferromagnet MnF
are quantitatively consistent with the mPDFs calculated using the presented equation.
深谷 有喜; 松田 巌*; Feng, B.*; 望月 出海*; 兵頭 俊夫*; 社本 真一
2D Materials (Internet), 3(3), p.035019_1 - 035019_7, 2016/09
被引用回数：20 パーセンタイル：16.62(Materials Science, Multidisciplinary)本研究では、全反射高速陽電子回折(TRHEPD)法を用いて、アルミニウム基板上のゲルマネン(グラフェンのゲルマニウム版)の構造決定を行った。測定した回折スポット強度の非対称性から、ゲルマネンの構造が
方向に対して鏡面対称性を持たないことがわかった。動力学的回折理論に基づく強度解析から、単位格子当たり1個のゲルマニウム原子が真空側に突出する非対称な構造であることがわかった。これは、これまでに提案されている2個のゲルマニウム原子が突出した対称的な構造モデルとは異なる。これまでに報告された他の実験結果は、今回決定した構造モデルにより説明可能である。
樹神 克明; 池田 一貴*; 礒部 正彦*; 武田 晃*; 伊藤 正行*; 上田 寛*; 社本 真一; 大友 季哉*
Journal of the Physical Society of Japan, 85(9), p.094709_1 - 094709_5, 2016/09
被引用回数：1 パーセンタイル：79.03(Physics, Multidisciplinary)We have performed powder neutron diffraction on the half-metallic ferromagnet CrO which has a rutile-type crystal structure with a tetragonal unit cell. Although the powder diffraction pattern can be fitted by the reported crystal structure including a single Cr site, the atomic pair distribution function (PDF) can be fitted by the structural model with an orthorhombic unit cell including two kinds of inequivalent Cr sites. The difference between the valences of the two inequivalent Cr sites, 
of Cr
, estimated from the local structural parameters is about 0.06. The shapes of the two CrO
octahedra are slightly different, suggesting the short-range orbital ordering of the Cr 3
orbitals. The lattice distortion and the improvement of the fitting to the PDF obtained using the locally distorted structure model are apparent in the region below about 10 
, suggesting that the domain size or correlation length of the locally distorted structure is about 10 , roughly corresponding to the size of two unit cells.
深谷 有喜; 圓谷 志郎; 境 誠司; 望月 出海*; 和田 健*; 兵頭 俊夫*; 社本 真一
Carbon, 103, p.1 - 4, 2016/07
被引用回数：9 パーセンタイル：38.68(Chemistry, Physical)本研究では、全反射高速陽電子回折法を用いて、貴金属および遷移金属基板上のグラフェンの構造を調べた。動力学的回折理論に基づく構造解析から、CuおよびCo基板上のグラフェンの高さをそれぞれ3.34および2.06と決定した。Cu基板上のグラフェンの高さはグラファイトの層間距離に近く、グラフェン・Cu基板間の相互作用は非常に弱いことがわかった。一方、Co基板上のグラフェンの高さは、Cu基板上のものに比べ1以上も低く、Co基板上のグラフェンは基板と強く相互作用していることが実験的に確かめられた。
野村 拓司*; 原田 慈久*; 丹羽 秀治*; 石井 賢司*; 石角 元志*; 社本 真一; Jarrige, I.*
Physical Review B, 94(3), p.035134_1 - 035134_9, 2016/07
被引用回数：3 パーセンタイル：66.42(Materials Science, Multidisciplinary)Fe-
吸収端での共鳴非弾性X線散乱(RIXS)を用いて、典型的な鉄系超伝導体PrFeAsOの単結晶で、低エネルギー電子励起スペクトルを測定した。
樹神 克明; 井川 直樹; 社本 真一; 池田 一貴*; 大下 英敏*; 金子 直勝*; 大友 季哉*; 鈴谷 賢太郎; 星川 晃範*; 石垣 徹*
JPS Conference Proceedings (Internet), 8, p.034002_1 - 034002_6, 2015/09
Cubic spinel compound LiMnO
with the mixed valence of Mn
has non-metallic conductivity. The local structure determined by the PDF analysis has an orthorhombic lattice distortion and includes inequivalent Mn and Mn
sites. YBaCoO
also exhibits non-metallic conductivity although the Co has the mixed valence of +2.5 above 220 K which corresponds with charge ordering temperature. The PDF obtained at 450 K is not reproduced by the PDF calculated for the averaged structure and can be reproduced by the PDF calculated for the structure model corresponding to the charge ordering state. These results suggest that the valence electrons are localized with short-range periodicity, resulting in the non-metallic conductivities in these materials.
福田 竜生; Baron, A. Q. R.*; 内山 裕士*; 中村 博樹; 石角 元志*; 町田 昌彦; 社本 真一
SPring-8/SACLA利用研究成果集(Research Report) (インターネット), 3(2), p.290 - 293, 2015/07
Using inelastic X-ray scattering (IXS), we investigated acoustic phonons of PrFeAsO precisely in order to select between two different models based on first principles calculations: the in-plane soft and clipped model. These models predict slightly different phonon intensities, and, in particular, different contamination of the longitudinal acoustic (LA) phonon spectra by transverse acoustic (TA) phonon modes. We were able to reduce the contamination with improved 
resolution, but the data quality was not sufficient to clearly decide between our models. Based on 
dependence there appears to be slightly better agreement with the in-plane soft model at room temperature.
As樹神 克明; 石角 元志*; 脇本 秀一; 木方 邦宏*; Lee, C.-H.*; 伊豫 彰*; 永崎 洋*; 社本 真一
Physical Review B, 90(14), p.144510_1 - 144510_5, 2014/10
被引用回数：1 パーセンタイル：92.3(Materials Science, Multidisciplinary)We have performed neutron diffraction measurements at 12K on a single crystal of BaFeAs, which serves as the parent compound of iron-based superconductor. To investigate the in-plane anisotropy of the magnetic form factor in the antiferromagnetic phase, the single crystal was detwinned. The magnetic structure factor and magnetic form factor are well explained by the spin densities comprising 
electrons with a fraction of approximately 40% and electrons in the other four 
orbitals each with a fraction of approximately 15%. It is a direct observation of the largely anisotropic spin density relative to the small orthorhombic lattice distortion, 
0.3%.
IrSi
Pyon, S.*; 工藤 一貴*; 松村 純一*; 石井 博文*; 松尾 元太*; 野原 実*; 北條 元*; 岡 研吾*; 東 正樹*; Garlea, V. O.*; et al.
Journal of the Physical Society of Japan, 83(9), p.093706_1 - 093706_5, 2014/09
被引用回数：13 パーセンタイル：26.29(Physics, Multidisciplinary)The effects of lithium absorption on the crystal structure and electronic properties of IrSi, a binary silicide with a noncentrosymmetric crystal structure, were studied. X-ray and neutron diffraction experiments revealed that hexagonal IrSi (space group 
) transforms into trigonal LiIrSi (space group 
) upon lithium absorption. The structure of LiIrSi is found to consist of a planar kagome network of silicon atoms with Li and Ir spaced at unequal distances between the kagome layers, resulting in a polar structure along the c-axis. LiIrSi exhibited type-II superconductivity with a transition temperature 
of 3.8 K, displaying a structure type that no previous superconductors have been reported to have.
O樹神 克明; 井川 直樹; 社本 真一; 池田 一貴*; 大下 英敏*; 金子 直勝*; 大友 季哉*; 鈴谷 賢太郎; 星川 晃範*; 石垣 徹*
JPS Conference Proceedings (Internet), 3, p.013012_1 - 013012_6, 2014/06
LiMnO has a cubic spinel structure with a single Mn site whose valence is +3.5. Below about 260 K, the compound exhibits a charge ordering and has inequivalent Mn sites with valences of +3 and +4. However, even in the cubic phase without the charge ordering, temperature dependence of the electrical conductivity is non-metallic. We have performed PDF (atomic pair distribution function) analysis on powder neutron diffraction data of LiMnO obtained above 300 K where the compound has cubic structure. The local structure determined by PDF analysis has an orthorhombic lattice distortion and includes the inequivalent Mn sites with valences of +3 and +4 up to, at least, about 450 K. These results indicate that valence electrons are localized at Mn sites with short range periodicity, resulting in the non-metallic electrical conductivity. It can be regarded as a glass state of valence electrons whereas a charge ordering can be regarded as a crystallization of valence electrons.
Kim, J.*; 藤原 明比古*; 澤田 智弘*; Kim, Y.*; 杉本 邦久*; 加藤 健一*; 田中 宏志*; 石角 元志*; 社本 真一; 高田 昌樹*
IUCrJ (Internet), 1(3), p.155 - 159, 2014/05
被引用回数：2 パーセンタイル：70.18(Chemistry, Multidisciplinary)放射光X線粉末回折データをもとに、電子密度解析を行い、低温でLaFeAsO
F
の超伝導相の鉄層にのみ電子が集まっていることが見つかった。静電ポテンシャル分布解析の結果、ヒ素イオンの電子分極が協調的に増強され、電荷の再配列が起こっていた。
社本 真一; 樹神 克明; 伊巻 正*; 中谷 健; 大下 英敏*; 金子 直勝*; 増子 献児*; 坂本 健作; 山口 憲司; 鈴谷 賢太郎; et al.
JPS Conference Proceedings (Internet), 1, p.014011_1 - 014011_5, 2014/03
アンモナイト化石の2次元回折イメージングをJ-PARCにおける高強度全散乱装置NOVAで行った。観測された回折プロファイルはカルサイト,シデライトとアモルファス構造からなっていることがわかった。
Park, S.-W.*; 溝口 拓*; 樹神 克明; 社本 真一; 大友 季哉*; 松石 聡*; 神谷 利夫*; 細野 秀雄*
Inorganic Chemistry, 52(23), p.13363 - 13368, 2013/12
被引用回数：12 パーセンタイル：35.91(Chemistry, Inorganic & Nuclear)We report the synthesis, structure, and electromagnetic properties of Cr-based layered oxyarsenides LnCrAsO (Ln = La, Ce, Pr, and Nd) with a ZrCuSiAs-type structure. All LnCrAsO samples showed metallic electronic conduction. Electron doping in LaCrAsO by Mnsubstitution for the Cr sites gave rise to a metal-insulator transition. Analysis of powder neutron diffraction data revealed that LaCrAsO had Gtype antiferromagnetic (AFM) ordering, i.e., a checkerboard-type AFM ordering in the CrAs plane and antiparallel spin coupling between the adjacent CrAs planes, at 300 K with a large spin moment of 1.57 
along the c axis. The magnetic susceptibility of LaCrAsO was very small (on the order of 10
emu/mol) and showed a broad hump at 550 K. First-principles density functional theory calculations of LaCrAsO explained its crystal structure and metallic nature well, but could not replicate the antiparallel spin coupling between the CrAs layers. The electronic structure of LaCrAsO is discussed with regard to those of related compounds LaFeAsO and LaMnAsO.
O樹神 克明; 井川 直樹; 社本 真一; 池田 一貴*; 大下 英敏*; 金子 直勝*; 大友 季哉*; 鈴谷 賢太郎
Journal of the Physical Society of Japan, 82(9), p.094601_1 - 094601_6, 2013/09
被引用回数：6 パーセンタイル：46.59(Physics, Multidisciplinary)We have performed powder neutron diffraction on 
LiMnO at 300 K. The crystal structure determined by Rietveld analysis is a cubic spinel with space group of 
in which all Mn atoms are crystallograghically equivalent, consistent with many preceding studies. However, the atomic pair distribution function (PDF) of this compound cannot be fitted by the cubic structure satisfactorily, and it can be reproduced by the orthorhombic structure with 
. It corresponds with the structure of charge ordered phase below about 260 K, indicating a short range charge ordering. In the local structure determined by PDF analysis, two types of MnO octahedra with long and short atomic distances between Mn and O atoms exist and their Mn-O distances are almost consistent with the distances in the charge ordered phase. From these results, valence electrons are localized at Mn sites like a glass even in the cubic phase, resulting in the non-metallic electrical conductivity.
