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論文

Spin excitations of the $$S$$=1/2 one-dimensional Ising-like antiferromagnet BaCo$$_{2}$$V$$_{2}$$O$$_{8}$$ in transverse magnetic fields

奥谷 顕*; 大西 弘明; 木村 尚次郎*; 竹内 徹也*; 木田 孝則*; 森 道康; 三宅 厚志*; 徳永 将史*; 金道 浩一*; 萩原 政幸*

Journal of the Physical Society of Japan, 90(4), p.044704_1 - 044704_9, 2021/04

 被引用回数:0 パーセンタイル:0(Physics, Multidisciplinary)

The high-field multifrequency electron spin resonance (ESR), the magnetization, and the specific heat of single crystals of BaCo$$_{2}$$V$$_{2}$$O$$_{8}$$ (a quasi-one-dimensional Ising-like antiferromagnet with $$S=1/2$$) were measured in two different transverse magnetic fields: $$H parallel [100]$$ and $$H parallel [110]$$. A softening of the lowest ESR mode was observed near the saturation field of the magnetization around 40 T in $$H parallel [110]$$, whereas it occurs around 10 T in $$H parallel [100]$$, far below the saturation field. These observations were reproduced by numerical calculations using the density-matrix renormalization group methods, including the staggered magnetic fields induced by a uniform external magnetic field and the interchain magnetic exchange interaction. We found that the directional dependence of the lowest mode originates mainly from the remarkable angular dependence of the induced magnetic field. The interchain interaction is also quantitatively important for reproducing the experimental results. The directional dependence of the lowest mode is demonstrated by the particle-hole excitation of spinons using the Jordan-Wigner transformation.

論文

Magnetic excitations and transport properties in frustrated ferromagnetic chain

大西 弘明

Journal of Magnetism and Magnetic Materials, 479, p.88 - 90, 2019/06

 被引用回数:1 パーセンタイル:0(Materials Science, Multidisciplinary)

In a spin nematic state of a spin-1/2 frustrated ferromagnetic chain, low-energy excitations are governed by bound magnons, so that bound magnons carry spin current and thermal current. Regarding magnetic excitations, we find gapless longitudinal and gapped transverse spin excitation spectra, in accordance with quasi-long-range longitudinal and short-range transverse spin correlations, respectively, while we observe gapless quadrupole excitations, signaling quasi-long-range quadrupole correlations. In the present work, we investigate spin and thermal transport properties by exploiting numerical methods, such as exact diagonalization and density-matrix renormalization group. We will discuss the effects of bound magnon propagation in spin and thermal transport, based on detailed analyses of current-current correlation functions in the spin nematic ground state, and temperature and field dependencies of the spin Drude weight and the thermal Drude weight.

論文

Electrochemical reaction mechanisms under various charge-discharge operating conditions for Li$$_{1.2}$$Ni$$_{0.13}$$Mn$$_{0.54}$$Co$$_{0.13}$$O$$_{2}$$ in a lithium-ion battery

小西 宏明*; 平野 辰巳*; 高松 大郊*; 軍司 章*; Feng, X.*; 古月 翔*; 奥村 壮文*; 寺田 尚平*; 田村 和久

Journal of Solid State Chemistry, 262, p.294 - 300, 2018/06

 被引用回数:6 パーセンタイル:51.04(Chemistry, Inorganic & Nuclear)

Li$$_{1.2}$$Ni$$_{0.13}$$Mn$$_{0.54}$$Co$$_{0.13}$$O$$_{2}$$正極の充電過程において、各SOCでの電極電位は、放電過程より高い。この機構を明らかにするために、様々なSOCにおいて電気化学測定、XRD, XAFS測定を行った。その結果、Li$$_{1.2}$$Ni$$_{0.13}$$Mn$$_{0.54}$$Co$$_{0.13}$$O$$_{2}$$の格子状数や遷移金属の酸化状態が異なっていることが分かった。また、Li$$_{1.2}$$Ni$$_{0.13}$$Mn$$_{0.54}$$Co$$_{0.13}$$O$$_{2}$$中に、LiNi$$_{0.33}$$Mn$$_{0.33}$$Co$$_{0.33}$$O$$_{2}$$やLi$$_{2}$$MnO$$_{3}$$に類似した構造が存在することも明らかになった。

論文

Dynamical quadrupole structure factor of frustrated ferromagnetic chain

大西 弘明

Physica B; Condensed Matter, 536, p.346 - 349, 2018/05

 被引用回数:1 パーセンタイル:8.26(Physics, Condensed Matter)

In a spin-1/2 $$J_{1}$$-$$J_{2}$$ Heisenberg chain with ferromagnetic $$J_{1}$$ and antiferromagnetic $$J_{2}$$, the ground state in high magnetic fields is a quadrupole state, the so-called spin nematic state. To understand the properties of the spin nematic state from the viewpoint of excitation dynamics, we have studied dynamical spin structure factors by density-matrix renormalization group methods. In the spin nematic regime, we find gapless longitudinal and gapped transverse spin excitation spectra, in accordance with quasi-long-ranged longitudinal and short-ranged transverse spin correlations, respectively. These features can be examined by inelastic neutron scattering experiments. However, they are indirect evidence for the spin nematic state. Here, we proceed to analyze dynamical quadrupole structure factors to clarify excitation dynamics in the quadrupole channel. We observe gapless excitations at $$q$$=$$pi$$, signaling quasi-long-ranged antiferro-quadrupole correlations. Information of spectral intensity distribution would be useful to discuss how we can detect the spin nematic state directly by experiments.

論文

Mechanisms responsible for two possible electrochemical reactions in Li$$_{1.2}$$Ni$$_{0.13}$$Mn$$_{0.54}$$Co$$_{0.13}$$O$$_{2}$$ used for lithium ion batteries

小西 宏明*; 平野 辰巳*; 高松 大郊*; 軍司 章*; Feng, X.*; 古月 翔*; 奥村 壮文*; 寺田 尚平*; 田村 和久

Journal of Solid State Chemistry, 258, p.225 - 231, 2018/02

 被引用回数:7 パーセンタイル:57.15(Chemistry, Inorganic & Nuclear)

リチウムイオン電池の正極材料であるLi$$_{1.2}$$Ni$$_{0.13}$$Mn$$_{0.54}$$Co$$_{0.13}$$O$$_{2}$$について、充放電過程における構造変化について調べた。実験結果から、充電過程ではSOCが大きくなるとともに、Li$$_{2}$$MnO$$_{3}$$,LiNi$$_{0.33}$$Mn$$_{0.33}$$Co$$_{0.33}$$O$$_{2}$$,Li$$_{2}$$MnO$$_{3}$$の順に結構構造が変化するのに対して、放電過程では、Li$$_{2}$$MnO$$_{3}$$,LiNi$$_{0.33}$$Mn$$_{0.33}$$Co$$_{0.33}$$O$$_{2}$$の順に結晶構造が変化することが分かった。

論文

Neutron scattering study of yttrium iron garnet

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:10 パーセンタイル:63.24(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。$$q$$積分した動的磁化率$$chi$$"($$E$$)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。$$chi$$"($$E$$)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。

論文

Quantum phase transitions driven by rhombic-type single-ion anisotropy in the $$S$$=1 Haldane chain

Tzeng, Y.-C.*; 大西 弘明; 大久保 毅*; Kao, Y.-J.*

Physical Review B, 96(6), p.060404_1 - 060404_7, 2017/08

 被引用回数:13 パーセンタイル:66.18(Materials Science, Multidisciplinary)

The spin-1 Haldane chain is an example of the symmetry-protected-topological (SPT) phase in one dimension. Experimental realization of the spin chain materials usually involves both the uniaxial-type, $$D(S^z)^2$$, and the rhombic-type, $$E[(S^x)^2-(S^y)^2]$$, single-ion anisotropies. Here, we provide a precise ground-state phase diagram for a spin-1 Haldane chain with these single-ion anisotropies. Using quantum numbers, we find that the $$Z_2$$ symmetry breaking phase can be characterized by double degeneracy in the entanglement spectrum. Topological quantum phase transitions take place on particular paths in the phase diagram, from the Haldane phase to the large-$$E_x$$, large-$$E_y$$, or large-$$D$$ phases. The topological critical points are determined by the level spectroscopy method with a newly developed parity technique in the density matrix renormalization group, and the Haldane-large-$$D$$ critical point is obtained with an unprecedented precision, $$(D/J)_c$$=0.9684713(1). Close to this critical point, a small rhombic single-ion anisotropy $$|E|/Jll1$$ can destroy the Haldane phase and bring the system into a $$y$$-N$'e$el phase. We propose that the compound [Ni(HF$$_2$$)(3-Clpy)$$_4$$]BF$$_4$$ is a candidate system to search for the $$y$$-N$'e$el phase.

論文

Magnetic structure and dispersion relation of the $$S$$=1/2 quasi-one-dimensional Ising-like antiferromagnet BaCo$$_{2}$$V$$_{2}$$O$$_{8}$$ in a transverse magnetic field

松田 雅昌*; 大西 弘明; 奥谷 顕*; Ma, J.*; Agrawal, H.*; Hong, T.*; Pajerowski, D. M.*; Copley, J. R. D.*; 奥西 巧一*; 森 道康; et al.

Physical Review B, 96(2), p.024439_1 - 024439_8, 2017/07

 被引用回数:8 パーセンタイル:50.2(Materials Science, Multidisciplinary)

BaCo$$_{2}$$V$$_{2}$$O$$_{8}$$ consists of Co chains, in which Co$$^{2+}$$ ion carries a fictitious spin $$frac{1}{2}$$ with Ising anisotropy. We performed elastic and inelastic neutron scattering experiments in BaCo$$_{2}$$V$$_{2}$$O$$_{8}$$ in magnetic field perpendicular to the $$c$$ axis which is the chain direction. With applying magnetic field along the $$a$$ axis at 3.5 K, the antiferromagnetic order with the easy axis along the $$c$$ axis, observed in zero magnetic field, is completely suppressed at 8 T, while the magnetic field gradually induces an antiferromagnetic order with the spin component along the $$b$$ axis. We also studied magnetic excitations as a function of transverse magnetic field. The lower boundary of the spinon excitations splits gradually with increasing magnetic field. The overall feature of the magnetic excitation spectra in magnetic field is reproduced by the theoretical calculation based on the spin $$frac{1}{2}$$ $$XXZ$$ antiferromagnetic chain model, which predicts that the dynamic magnetic structure factor of the spin component along the chain direction is enhanced and that along the field direction has clear incommensurate correlations.

論文

Variational wavefunction for the periodic Anderson model with onsite correlation factors

久保 勝規; 大西 弘明

Journal of the Physical Society of Japan, 86(1), p.013701_1 - 013701_4, 2017/01

 被引用回数:1 パーセンタイル:15.72(Physics, Multidisciplinary)

We propose a variational wavefunction containing parameters to tune the probabilities of all the possible onsite configurations for the periodic Anderson model. We call it the full onsite-correlation wavefunction (FOWF). This is a simple extension of the Gutzwiller wavefunction (GWF), in which one parameter is included to tune the double occupancy of the $$f$$ electrons at the same site. We compare the energy of the GWF and the FOWF evaluated by the variational Monte Carlo method and that obtained with the density-matrix renormalization group method. We find that the energy is considerably improved in the FOWF. On the other hand, the physical quantities do not change significantly between these two wavefunctions as long as they describe the same phase, such as the paramagnetic phase. From these results, we not only demonstrate the improvement by the FOWF, but we also gain insights on the applicability and limitation of the GWF to the periodic Anderson model.

論文

iBNCT用線形加速器のビームコミッショニング

内藤 富士雄*; 穴見 昌三*; 池上 清*; 魚田 雅彦*; 大内 利勝*; 大西 貴博*; 大場 俊幸*; 帯名 崇*; 川村 真人*; 熊田 博明*; et al.

Proceedings of 13th Annual Meeting of Particle Accelerator Society of Japan (インターネット), p.1244 - 1246, 2016/11

いばらき中性子医療研究センターのホウ素中性子捕獲療法(iBNCT)システムは線形加速器で加速された8MeVの陽子をBe標的に照射し、中性子を発生させる。この線形加速器システムはイオン源, RFQ, DTL, ビーム輸送系と標的で構成されている。このシステムによる中性子の発生は2015年末に確認されているが、その後システムの安定性とビーム強度を共に高めるため多くの改修を施した。そして本格的なビームコミッショニングを2016年5月中旬から開始する。その作業の進展状況と結果を報告する。

報告書

坑道周辺岩盤の概念再構築に関する研究; 平成26年度(委託研究)

小島 圭二*; 大西 有三*; 青木 謙治*; 杤山 修*; 西垣 誠*; 登坂 博行*; 吉田 英一*; 村上 裕晃; 笹尾 英嗣

JAEA-Research 2015-017, 54 Pages, 2015/12

JAEA-Research-2015-017.pdf:17.3MB

本報告書は、地層処分におけるニアフィールドコンセプトをより現実的に再構築する研究に関するものである。平成27年度は、当委員会の最終年度に当たるため、ニアフィールドコンセプトの再構築に関する検討概要と基本的考え方のまとめを行った。また、委員会での検討事項を整理して、「現実的なニアフィールドコンセプトの再構築」の残された課題を抽出した。特に、「2011年東日本大震災」後に、安全に関する社会のパラダイムが大きくシフトしたことを考慮して、地層処分に関して、社会が従来の安全概念では受け入れがたくなっていると考えられる事項も整理した。また、地下研究施設/ニアフィールド領域で実証可能な、地層処分「必須の重要事項」への対応を検討した。これらを通して、今後の地層処分/ニアフィールド領域の研究開発の方向を示した。

論文

Magnetic excitations of spin nematic state in frustrated ferromagnetic chain

大西 弘明

Journal of the Physical Society of Japan, 84(8), p.083702_1 - 083702_4, 2015/08

 被引用回数:22 パーセンタイル:80.11(Physics, Multidisciplinary)

By exploiting density-matrix renormalization group techniques, we investigate the dynamical spin structure factor of a spin-1/2 Heisenberg chain with ferromagnetic nearest-neighbor and antiferromagnetic next-nearest-neighbor exchange interactions in an applied magnetic field. In a field-induced spin nematic regime, we find gapless longitudinal and gapped transverse spin excitation spectra, in accordance with quasi-long-ranged longitudinal and short-ranged transverse spin correlations, respectively. The gapless point coincides with the dominant longitudinal spin correlation, whereas the gap position exhibits a characteristic field dependence contradicting the dominant transverse spin correlation.

論文

Effects of magnetic anisotropy on spin dynamics of ferromagnetic frustrated chain

大西 弘明

Journal of Physics; Conference Series, 592(1), p.012109_1 - 012109_6, 2015/03

 被引用回数:7 パーセンタイル:92.87

By exploiting density-matrix renormalization group techniques, we investigate the spin dynamics of a spin-1/2 one-dimensional $$J_{1}$$-$$J_{2}$$ XXZ model with competing ferromagnetic $$J_{1}$$ and antiferromagnetic $$J_{2}$$ under applied magnetic fields. In a high-field phase, the formation of two-magnon bound states leads to a spin quadrupole state, the so-called spin nematic state. The longitudinal spin and quadrupole correlations are quasi-long-ranged, while the transverse spin correlation is short-ranged. Accordingly, the longitudinal component of the spin excitation has a gapless mode, while the transverse component exhibits a gapped mode. The easy-plane anisotropy disfavors the two-magnon bound state, and in contrast the easy-axis anisotropy stabilizes the two-magnon bound state. We will report detailed analyses of the dependence on exchange coupling parameters and magnetic field, and discuss possible relevance to real compounds such as LiCuVO$$_{4}$$.

論文

会議報告; The 16th International Workshop on Radiative Properties of Hot Dense Matter会議

佐々木 明; 西村 博明*; 大西 直文*

プラズマ・核融合学会誌, 91(2), p.166 - 167, 2015/02

2014年9月にオーストリア、ウィーンで開催されたThe 16th International Workshop on Radiative Properties of Hot Dense Matter会議の参加報告で、会議において議論された、高温、高密度プラズマ中の原子過程、輻射輸送の研究の現状、今後の課題について議論した。米国リバモア研究所におけるNIF(National Ignition Facility)の現状、XFELを用いた実験などのトピックスについて紹介した。また、衝突輻射モデル計算コード比較ワークショップなどの分野の研究者の活動について紹介した。

論文

Doping control of realization of an extended Nagaoka ferromagnetic state from the Mott state

大西 弘明; 宮下 精二*

Physical Review B, 90(22), p.224426_1 - 224426_11, 2014/12

 被引用回数:0 パーセンタイル:0(Materials Science, Multidisciplinary)

Inspired by the Nagaoka ferromagnetism, we propose an itinerant model to study the transition between the Mott singlet state and a ferromagnetic state by emulating a doping process in finite lattices. In the Nagaoka ferromagnetism, the total spin of the system takes the maximum value when an electron is removed from the half-filled system. To incorporate a procedure of the electron removal, our model contains extra sites as a reservoir of electrons, and the chemical potential of the reservoir controls the distribution of electrons. We demonstrate that, as a function of the chemical potential, the system exhibits ground-state phase transitions among various values of the total spin, including a saturated ferromagnetic state due to the Nagaoka mechanism at finite hole density.

論文

Ground state of $$S$$=1 zigzag spin-orbital chain

大西 弘明

JPS Conference Proceedings (Internet), 3, p.014025_1 - 014025_5, 2014/06

We investigate ground-state properties of a $$t_{rm 2g}$$-orbital Hubbard model on a zigzag chain, by exploiting numerical techniques. The electron number per site is set to be two, leading to a local $$S$$=1 state. That is, the system is a Haldane system with active orbital degrees of freedom. We assume that the $$t_{rm 2g}$$ level is split into the $$a_{rm 1g}$$ ($$xy$$) and $$e_{rm g}$$ ($$yz,zx$$) levels due to the tetragonal crystalline electric field effect. With varying the level splitting, we observe a quantum phase transition that accompanies the change of the orbital state. We will report the detailed ground-state phase diagram and discuss the spin and orbital states. We will also discuss possible relevance of the obtained results to real compounds such as CaV$$_{2}$$O$$_{4}$$.

論文

Nonequilibrium dynamics of multiorbital correlated electron system under time-depending electric field

大西 弘明

Physica Status Solidi (B), 250(3), p.553 - 556, 2013/03

 被引用回数:0 パーセンタイル:0(Physics, Condensed Matter)

To clarify a role of orbital degrees of freedom in the response to an external field, we investigate the real-time dynamics under applied electric fields in a one-dimensional orbital degenerate Hubbard model, by exploiting numerical techniques. Let us here consider a chain along the $$z$$ axis with $$e_{rm g}$$-orbital degrees of freedom on each site and one electron per site. In the ground state, the itinerant $$d_{3z^2-r^2}$$ orbital is singly occupied and the localized $$d_{x^2-y^2}$$ orbital is empty, while the spin state exhibits antiferromagnetic correlations. After an oscillating electric field is turned on, holon-doublon pairs are created. As the time evolves, the ferro-orbital state is deformed due to the pair-hopping process that is characteristic of multi-orbital systems. Regarding the spin state, we observe the suppression of the antiferromagnetic correlations. We will also address the other filling case.

論文

Spin-orbital state induced by strong spin-orbit coupling

大西 弘明

Journal of Physics; Conference Series, 391, p.012102_1 - 012102_4, 2012/12

 被引用回数:6 パーセンタイル:90.23

To clarify a crucial role of a spin-orbit coupling in the emergence of novel spin-orbital states in a $$5d$$-electron compound Sr$$_{2}$$IrO$$_{4}$$, we study ground state properties of a $$t_{rm 2g}$$-orbital Hubbard model on a square lattice by Lanczos diagonalization. In the absence of the spin-orbit coupling, the ground state is spin singlet when the Hund's rule coupling is small, while the ground state turns to be a fully polarized ferromagnetic state with the increase of the Hund's rule coupling. On the other hand, when we include the strong spin-orbit coupling, a ferromagnetic state appears even if the Hund's rule coupling is small. In the spin-orbit-induced ferromagnetic state, the total spin is reduced from the fully polarized one, since up-spin and down-spin states are mixed. Regarding the orbital state, we find the so-called complex orbital state, in which $$t_{rm 2g}$$-orbital states are mixed with complex coefficients.

論文

Multipole correlations of $$t_{rm 2g}$$-orbital Hubbard model with spin-orbit coupling

大西 弘明

Journal of the Physical Society of Japan, 80(Suppl.A), p.SA141_1 - SA141_3, 2011/07

 被引用回数:2 パーセンタイル:21.57(Physics, Multidisciplinary)

We investigate multipole properties in the ground state of a $$t_{rm 2g}$$-orbital Hubbard model with the spin-orbit coupling, by exploiting numerical techniques. Here let us consider a one-dimensional chain along the $$x$$ direction with five electrons per site. Due to the spatial anisotropy of $$t_{rm 2g}$$ orbitals, $$xy$$ and $$zx$$ orbitals are active in the absence of the spin-orbit coupling. When the spin-orbit coupling is weak, spin and orbital are independent degrees of freedom at local level. With the increase of the spin-orbit coupling, the total angular momentum turns to give a good quantum state. The spin state changes from an antiferromagnetic state to a ferromagnetic state. Regarding the orbital state, the spin-orbit coupling would lead to a complex orbital state. In the presentation, we will discuss how the spin-orbital state can be understood from the viewpoint of multipole.

論文

Dynamics of attractively interacting fermi atoms in one-dimensional optical lattices; Non-equilibrium simulations of fermi superfluidity

奥村 雅彦; 大西 弘明; 山田 進; 町田 昌彦

Physica C, 470(Suppl.1), p.S949 - S951, 2010/12

 被引用回数:4 パーセンタイル:23.57(Physics, Applied)

近年進展著しいフェルミオン光学格子系において、最近、非平衡状態の生成,観測も行われるようになってきた。その中でも、引力相互作用するフェルミ原子気体の重心運動の実験が行われ、注目を集めている。この実験では引力相互作用が強くなるに連れ、重心運動の減衰が早まることがわかっている。われわれは、この重心運動にスピンインバランス効果がどのように効くのかを、時間依存密度行列繰り込み群を用いて、数値誤差の範囲内で厳密に調べた。その結果、アップスピンとダウンスピンの数に差がある場合、重心運動の減衰がさらに早まることを発見した。さらに詳細に調べた結果、この早い減衰は、二重占有状態とその他の成分が逆位相で運動することに起因することがわかった。

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