新しい研究ネットワークによる電子相関系の研究-物理学と化学の真の融合を目指して-

2003 Fiscal Year Annual Research Report

• Project/Area Number: 13NP0201
• Research Institution: Okazaki National Research Institutes
• Principal Investigator: 茅 幸二 岡崎国立共同研究機構, 分子科学研究所, 所長 (10004425)
• Co-Investigator(Kenkyū-buntansha): 福山 秀敏 東北大学, 金属材料研究所, 教授 (10004441) ; 中原 勝 京都大学, 化学研究所, 教授 (20025480) ; 上田 寛 東京大学, 物性研究所, 教授 (20127054) ; 門野 良典 高エネルギー加速器研究機構, 物質構造科学研究所, 教授 (10194870) ; 川添 良幸 東北大学, 金属材料研究所, 教授 (30091672)
• Keywords: コラボラトリー / スーパーサイネット / 新規強相関物質開発 / 光キャリア注入 / 超高分解能レーザー分光装置 / ナノサイズクラスター / 界面ナノ構造 / シミュレーション計算

Research Abstract

本プログラムは、電子相関をキーワードとした5研究所をネットワークでつなぎ、これまでの制約を超えた「共同研究の新たな形」を築きつつある。新規強相関物質の開発とその精密な構造解析は研究所間の連携の上に初めて可能となったものである。具体的には、V, Mn酸化物等においての圧力誘起超伝導や電荷・軌道・スピン結合系新規物性の発見、有機フィリング系で特異なフェリ強磁性の発見、Ru錯体およびナノ結晶作成法によるランタニドー遷移金属合金の合成、透明なキラルフェリ磁性体の新奇な物性の発見、軟X線レーザーを用いた超高分解能光電子分光の開発および分解能360μ e Vを達成などの成果を得た。また、水素内包フラーレン、超臨界・水クラスター、サイズ選別金クラスターの合成など、物理と化学の学際領域に特有な物質系の開発と構造解析にも成功している。
一方、コラボシステムを利用して連携している5研究所からインターネットの手段を使って物構研の大型装置を外部から運転を行い成功に導いた。本年度重点的に進めてきた東大物性研の超高分解能レーザー分光器が完成し、0.4meV 2.7Kの世界最高記録を達成し、1.35meVのNbの超伝導ギャップの測定に成功した。さらにTOMBOプログラムを用いた物性研と金研のスーパーコンピューター接続による超大規模分散処理シミュレーションを実施し、ゼオライト中の有機分子の移動特性の詳細を第一原理計算によって解析した。
5研究所間でのテレビ会議によるネットワークにおいては、遠隔実験におけるネットワークセキュリティの問題について解決策を検討し、VPN接続を基本にしたネットワーク構造を取るという結論を得た。これによって、遠隔実験の利便性がさらに向上すると期待される。このように、5研究所間の連携が、物質開発やネットワークの面で実を結びつつある。

Research Products

• [Publications] Emiko Ishikawa: "On possibility of real space observation of the Aharonov-Bohm effect by scanning tunneling microscopy"Jpn.J.Appl.Phys.. 43. L206-L209 (2004)
• [Publications] Kehui Wu: "Na adsorption on the Si(111)-(7x7) surface : From two-dimensional gas to nanocluster array"Phys.Rev.Lett.. 91. 126101-1-126101-4 (2003)
• [Publications] T.Tanikawa: "Nonmetallic transport property of the Si(111)7x7 surface"Physical Review. B68. 113303 1-113303 4 (2003)
• [Publications] Yuki Shimada: "Spatial and temperature dependence of the spectroscopic profile of a magnetic atom adsorbed on a metal surface-Co/Cu(111)"Journal of Appl.Phys.. 94. 334-341 (2003)
• [Publications] Masanori Ono: "Dimer buckling of the Si(001)2x1 surface below 10K observed by low-temperature scanning tunneling microscope"Physical Review. B67. R201306 (2003)
• [Publications] Masanori Ono: "Arrangement of the dimer structure on the Si(001)2x1 surface observed by low-temperature scanning tunneling microscope"Physica B. 329-333. 1644-1646 (2003)
• [Publications] Yukio Hasegawa: "Calculation of Noise Intensity in the Frequency Demodulation for Atomic Force Microscopy"Japanese Journal of Applied Physics. 43. L303-L305 (2004)
• [Publications] Takeshi Matsushima: "Development and trial measurement of synchrotron-radiation light-illuminated scanning-tunneling-microscope"Rev.Sci.Instrum.. (掲載予定). (2004)
• [Publications] N.Umezawa: "Transcorrelated method for electronic systems coupled with variational Monte Carlo calculation"Journal of Chemical Physics. 119. 10015-10031 (2003)
• [Publications] N.Umezawa: "Ground-state correlation energy for the homogeneous electron gas calculated by the transcorrelated method"Physical Review B. (in press).
• [Publications] K.Uchida: "First-principles calculations of carrier-doping effects in SrTiO_3"Physical Review B. 68. 174107 (2003)
• [Publications] Y.Yoshimoto: "First principles study of inter-nitrogen interaction energy of Cu(100)-c(2x2)N surface"International Journal of Quantum Chemistry. 91. 211-215 (2003)
• [Publications] Md.Zakir Hossain: "A new model for C-defect on Si(100)"Phys.Rev.B. 67. 153307 (2003)
• [Publications] M.Z.Hossain: "Purely site-specific chemisorption and conformation of trimethylamine on Si(100)c(4x2)"J.Am.Chem.Soc.. 125. 9252-9253 (2003)
• [Publications] Md.Z.Hossain: "Microscopic observation of precursor-mediated adsorption process of NH3 on Si(100)c(4x2) using STM"Phys.Rev.B. 68. 235322 (2003)
• [Publications] Yoshiyuki Yamashita: "Microscopic Adsorption Process of CO on Si(100)c(4x2) by means of Low Temperature Scanning Tunneling Microscopy"Phys.Rev.. 68. 033314 (2003)
• [Publications] J.Yoshinobu: "Lateral displacement by transient mobility in chemisorption of CO on Pt(997)"Phys.Rev.Lett.. 90. 248301 (2003)
• [Publications] Y.Yamashita: "Vibrational structure in C1s photoelectron spectra of ethylene on the Si(100)(2x1) surface"Chem.Phys.Lett.. 374. 476-481 (2003)
• [Publications] S.Yonezawa: "Epitaxial strain effects on the metal-insulator transition in V_2O_3 thin films"Solid State Comm.. 129. 245-248 (2004)
• [Publications] Y.Muraoka: "Photocarrier Injection to Transition Metal Oxides"J.Phys.Soc.Jpn. 72(4). 781-784 (2003)
• [Publications] Z.Hiroi: "Efficiency of photocarrier injection in a VO_2/TiO_2:Nb heterostructure"J.Phys.Soc.Jpn. 72(12). 3049-3052 (2003)
• [Publications] Z.Hiroi: "Ferromagnetic Ising Spin Chains Emerging from the Spin Ice under Magnetic Field"J.Phys.Soc.Jpn. 72(12). 3045-3048 (2003)
• [Publications] J.Yamaura: "Ultraviolet light selective photodiode based on an organic-inorganic heterostructure"Appl.Phys.Lett.. 83(11). 2097-2099 (2003)
• [Publications] T.Muramatsu: "Photocarrier injection to perovskite manganires"J.Mag.Mag.Mat.. (掲載予定).
• [Publications] Y.Muraoka: "Efficient Photocarrier Injection to Transition Metal Oxides"J.Mag.Mag.Mat.. (掲載予定).
• [Publications] M.Matsumoto: "Ground state of antiferromagnetic Heisenberg two-leg ladder in terms of the valence-bond solid picture"Physica B. 329-333. 1010-1011 (2003)
• [Publications] H.Takayama: "Aging phenomena in spin glasses : theory, experiment, and simulation"J.Magn.Magn.Mater.. (2003)
• [Publications] C.Presura: "Charge-Ordering Signatures in the Optical Properties of β-Na_<0.33>V_2O_5"Phys.Rev.Lett.. 90. 026402-1-026402-4 (2003)
• [Publications] H.Kageyama: "New Stacking Variations of the Charge and Orbital Ordering in the Metal-Ordered Manganite YBaMn_2O_6"J.Phys.Soc.Jpn.. 72. 241-244 (2003)
• [Publications] A.Fukaya: "Spin dynamics in the two-dimensional spin system SrCu_2(BO_3)_2"Physica B. 326. 446-449 (2003)
• [Publications] N.Nagao: "X-ray study of modulated structures of β'-Cu_xV_2O_5 (X=0.29,0.39)"Physica B. 329-333. 713-714 (2003)
• [Publications] T.Nakajima: "Structures and physical properties of metal-ordered manganites RBaMn_2O_6 (R : Y and rare earth elements)"Physica B. 329-333. 844-845 (2003)
• [Publications] E.Ninomiya: "Observation of lattice dimerization in spin-singlet low temperature phase of NaTiSi_2O_6"Physica B. 329-333. 884-885 (2003)
• [Publications] T.Ohama: "Magnetic excitation in the high-temperature phase of α'-NaV_2O_5"Physica B. 329-333. 934-935 (2003)
• [Publications] T.Nakajima: "Ground State Properties of the A-site Ordered Manganites, RBaMn_2O_6 (R=La, Pr and Nd)"J.Phys.Soc.Jpn.. 72. 3237-3242 (2003)
• [Publications] S.Fujiyama: "Charge Freezing in the Zig-zag Chain Cuprate PrBa_2Cu_4O_8 Observed by Cu nuclear Quadrupole Resonanc"Physical Review Letters. 90. 174004-1-174004-4 (2003)
• [Publications] O.Vyaselev: "Field-induced magnetic ordering in TlCuCl_3: lattice deformation and features of first-order transition"Physica B. 329-333. 892-893 (2003)
• [Publications] O.Vyaselev: "Magnetism, structure, and superconductivity of Cd_2Re_2O_7 pyrochlore : Cd and Re NMR"Physica B. 329-333. 959-960 (2003)
• [Publications] T.Kiyama: "NMR study of orbital ordering in RTiO_3 (R=Y, Gd and La)"Physica B. 329-333. 733-735 (2003)
• [Publications] Y.Shimaoka: "NMR study of magnetic structures in NH_4CuCl_3"Physica B. 329-333. 894-895 (2003)
• [Publications] Y.Fujii: "NMR study of S=1/2 quasi-two dimensional antiferromagnet Cs_2CuBr_4"Journal of Magnetism and Magnetic Materials. (印刷中). (2004)
• [Publications] K.Kodama: "Spin superstructure in the 1/8-magnetization plateau phase of the 2D orthogonal dimmer spin system SrCu_2(BO_3)_2"Journal of Magnetism and Magnetic Materials. (印刷中). (2004)
• [Publications] K.Kodama: "Spin correlation and field induced staggered magnetization in the 2D orthogonal dimmer spin system SrCu_2(BO_3)_2"Journal of Magnetism and Magnetic Materials. (印刷中). (2004)
• [Publications] Y.Fujii: "NMR study of S=1/2 quasi-two dimensional antiferromagnet Cs_2CuBr_4"Physica B. (印刷中). (2004)
• [Publications] M.Takigawa: "The 1/8-Magnetization Plateau State in the 2D Quantum Antiferromagnet SrCu_2(BO_3)_2: Spin Superstructure, Phase Transition, and Spin Dynamics Studied by High Field NMR"Physica B. (印刷中). (2004)
• [Publications] S.Miyahara: "The effects of intra-dimer Dzyaloshinsky-Moriya interaction on the properties of SrCu_2(BO_3)_2 in an external magnetic field"Journal of Physics : Condensed Matter. (印刷中). (2004)
• [Publications] T.Higuchi: "Observation of Acceptor level of p-type SrTiO_3 by high-resolution X-ray absorption spectroscopy"Nuclear Instruments and Methods in Physics Research. 199. 255-259 (2003)
• [Publications] T.Higuchi: "Electron correlation energy of La_xSr_<1-x>TiO_3 by high-resolution soft-X-ray emission spectroscopy"Nuclear Instruments and Methods in Physics Research. 199. 386-390 (2003)
• [Publications] H.Kakemoto: "Electronic structure of β-FeSi_2 by MEM and photoemission spectroscopy methods"Nuclear Instruments and Methods in Physics Research. 199. 411-415 (2003)
• [Publications] T.Higuchi: "Optical absorption spectra of protonic conductor CaZr_<0.95>Sc_<0.05>O_<3-δ>"Jpn.J.Appl.Phys.. 42. 1311-1332 (2003)
• [Publications] T.Higuchi: "Bulk electronic state of SrTiO_<3-δ> probed by resonant soft-X-ray emission spectroscopy"Jpn.J.Appl.Phys.. 42. L592-L594 (2003)
• [Publications] T.Higuchi: "Ce-O Hybridization Effect of Protonic Conductor SrCe<1-x>Y_xO_3 Observed by Resonant-Photoemission Spectroscopy"Jpn.J.Appl.Phys.. 42. 3526-3527 (2003)
• [Publications] M.Oura: "Resonant Double Excitation Observed in the Near-Threshold Evolution of the Photoexcited F K Satellite Intensity in NaF"Phys.Rev.Lett.. 90. 173002 (2003)
• [Publications] D.Baba: "Unoccupied electronic state of lightly La-doped SrTiO_3 observed by inverse-photoemission spectroscopy"Jpn.J.Appl.Phys.. 42. L837-L839 (2003)
• [Publications] T.Higuchi: "Band structure of TiO_2-doped yttria-stabilized zirconia probed by soft x-ray spectroscopy"Jpn.J.Appl.Phys.. 42. L941-L943 (2003)
• [Publications] K.Kobayashi: "High resolution-high energy x-ray photoelectron spectroscopy using third-generation synchrotron radiation source, and its application to Si-high k insulator systems"Appl.Phys.Lett.. 83. 1005-1007 (2003)
• [Publications] S.Tsuda: "Definitive Experimental Evidence for Two-Band Superconductivity in MgB_2"Phys.Rev.Lett.. 91. 127001-127004 (2003)
• [Publications] S.Tsuda: "X-ray absorption and resonant photoemission spectroscopy of ZrB_2"Physica C. 392-396. 259-262 (2003)
• [Publications] T.Higuchi: "On-site Coulmb energy versus crystal-field splitting for the insulatot-metal transition in La_xSr_<1-x>TiO_3"Phys.Rev.B. 68. 104420-104424 (2003)
• [Publications] T.Oguchi: "Electronic structure of B2ps and pp states in MgB_2, AlB_2, and ZrB_2 single crystals"Phys.Rev.B. 68. 64515-64519 (2003)
• [Publications] T.Higuchi: "Evidence of O-H bond in the bulk state of protonic conductor Y-doped SrCeO3 by Soft-X-Ray Spectroscopy"Jpn.J.Appl.Phys.. 42. L1265-L1267 (2003)
• [Publications] T.Higuchi: "Electronic Structures of Bi_<4-x>La_xTi_3O_<12> and Bi_4Zr_xTi_<3-x>O_<12> Single Crystal studied by Soft-X-Ray Spectroscopy"Jpn.J.Appl.Phys.. 42. 6226-6229 (2003)
• [Publications] T.Higuchi: "Electronic structure in the band gap of protonic conductor Sr(Ce_xZr_<1-x>)_<0.95>Yb_<0.05>O_3 thin film"Jpn.J.Appl.Phys.. 42. 5696-5697 (2003)
• [Publications] S.Kagoshima: "Uniaxial strain study of electronic crystal structures of organic conductors"Synthetic Metals. 133-134. 145-146 (2003)
• [Publications] H.Mori: "Band filling control in ET salts"Synthetic Metals. 133-134. 161-163 (2003)
• [Publications] M.Watanabe: "Structural phse transition in θ-(BEDT-TTF)_2RbM'(SCN)_4 (M'=Zn, Co)"Synthetic Metals. 133-134. 283-285 (2003)
• [Publications] M.Watanabe: "Investigation of X-ray diffuse scattering in θ-(BEDT-TTF)_2RbM'(SCN)_4"Synthetic Metals. 135-136. 665-666 (2003)
• [Publications] N.L.Wang: "Infrared properties of θ-type ET charge-transfer salts:θ-ET_2RbZn (SCN)_4 vs θ-ET_2CsZn (SCN)_4"Synthetic Metals. 135-136. 701-702 (2003)
• [Publications] K.Inagaki: "Out-of-plane dielectric constant of θ-(BEDT-TTF)_2RbZn(SCN)_4 single crystal"Physic B. 329-333. 1162-1163 (2003)
• [Publications] M.Watanabe: "Transfer Integrals and the Spatial Pattern of Charge Ordering in θ-(BEDT-TTF)_2RbZn(SCN)_4 at 90 K"J.Phys.Soc.Jpn. 73. 116-122 (2003)
• [Publications] H.Suzuki: "Control of electronic state in the 2D hydrogen-bonded system:β"-(CnDT-EDO-TTF)_2(PF_6)_x (n=5,6,7,8)"Synthetic Metals. (in press).
• [Publications] H.Mori: "Conductivity and magnetism by band filling control of organic conductors"J.Phys.IV France. (in press).
• [Publications] S.Kimura: "Crystal Structures and Electrical Conductivities Controlled by CH/n interactions"J.Phys.IV France. (in press).
• [Publications] Yasuharu Nagai: "Noncatalytic Cannizzaro-type Reaction of Acetaldehyde in Supercritical Water"Chem.Lett.. 32. 310-311 (2003)
• [Publications] Nobuyuki Matubayasi: "Theory of solutions in the energy representation. III. Treatment of the molecular flexibility"J.Chem.Phys.. 119. 9686-9702 (2003)
• [Publications] T.Yamaguchi: "NMR Study on the Reorientational Relaxation in Supercritical Alcohols"J.Phys.Chem.. A108. 1319-1324 (2004)
• [Publications] Chihiro Wakai: "Carbon-Carbon Bond Formation in Glycolic Acid Generated Spontaneously from Dichloromethane in Hot Water"Chem.Lett.. 33. 302-303 (2004)
• [Publications] Yuma Usui: "Synthesis of Dimethyl Ether from Supercritical Methanol in the Presence of Aluminum"Chem.Lett.. 33. 394-395 (2004)
• [Publications] Yasuharu Nagai: "Hot Water Induces an Acid-Catalyzed Reaction in Its Undissociated Form"Bull.Chem.Soc.Japan. 77(in press). (2004)
• [Publications] Chihiro Wakai: "Effect of Concentration, Acid, Temperature, and Metal on Competitive Reaction Pathways for Decarbonylation and Decarboxylation of Formic Acid in Hot Water"Chem.Lett.. 33(In press). (2004)
• [Publications] Saiko Morooka: "Acid-Catalyzed Hydrothermal Formation of Carbon-Carbon Bond in Glycolic Acid from a Series of Formaldehyde Producers"Chem.Lett.. 33(In press). (2004)
• [Publications] Yoshihiro Takebayashi: "Dipolar Hydration Anomaly in the Temperature Dependence : Crbonyl and Nitrile Solutes Studied by 13C NMR Chemical Shifts"J.Phys.Chem.. 107. 9847-9852 (2003)
• [Publications] Yoshihiro Takebayashi: "Acetone hydration in supercritical water : 13C-NMR spectroscopy and Monte Carlo simulation"J.Chem.Phys.. (In press). (2004)
• [Publications] Shinya Yoshida: "Desulfurization of Thiophene in Alkaline Supercritical Water Studied by 1H and 13C NMR"Chem.Lett.. 33. 330-331 (2004)
• [Publications] Tomohiro Kimura: "Side-Chain Conformational Thermodynamics of Aspartic Acid Residue in the Peptides and Achatin-I in Aqueous Solution"Biophys.J.. 86. 1124-1137 (2004)
• [Publications] 中原勝: "超臨界氷の構造と物性"熱測定. 31. 14-22 (2004)
• [Publications] 岡村恵美子: "NMRで捉えた膜のなかの分子の動き"化学. 59. 66-67 (2004)
• [Publications] Tomohiro Kimura: "NMR Study on the Binding of Neuropeptide Achatin-I to Phospholipid Bilayer : The Equilibrium, Location, and Peptide Conformation"Biophys.J.. 86(In press). (2004)
• [Publications] A.Masuno: "Transport and Magnetic Properties of the Micro-Fabricated Perovskite-Type Manganese Oxides"Physica B. 329-333. 920-921 (2003)
• [Publications] N.Ichikawa: "Non-Linear Conduction in the Charge-Disproportionated Phase of La<1/3>3Sr_<2/3>FeO_3"Physica B. 329-333. 799-800 (2003)
• [Publications] T.Akao: "Charge-Ordered State in Single-Crystalline CaFeO_3 Thin Film Studied by X-Ray Anomalous Diffraction"Phys.Rev.Lett.. 91. 156405-1-156405-4 (2003)
• [Publications] Yasujiro Murata: "Synthesis, Structure, and Properties of Novel Open-Cage Fullerenes Having Heteroatom(s) on the Rim of the Orifice"Chemistry,. A European Journal. 9・7. 1600-1609 (2003)
• [Publications] Yasujiro Murata: "100% Encapsulation of a Hydrogen Molecule into an Open-Cage Fullerene Derivative and Gas-Phase Generation of H_2@C_<60>"Journal of the American Chemical Society. 125巻・24号. 7152-7153 (2003)
• [Publications] Yasujiro Murata: "Structure of the Hydration Product of the C_<60>-Di(2-pyridyl)-1,2,4,5-tetrazine Adduct"Bulletin of the Chemical Society of Japan. 76巻・8号. 1669-1672 (2003)
• [Publications] Yasujiro Murata: "Synthesis and Electrolytic Polymerization of Fullerene-Terthiophene Dyads"Fullerenes. 13巻. 316-322 (2003)
• [Publications] Yasujiro Murata: "Synthesis and Electropolymerization of Fullerene-Terthiophene Dyads"Organic and Biomolecular Chemistry. 1巻. 2624-2625 (2003)
• [Publications] Yasujiro Murata: "Mechanochemical Synthesis of a Novel C_<60> Dimer Connected by a Germanium Bridge and a Single Bond"Tetrahedron Letters. 44巻. 8199-8201 (2003)
• [Publications] Tohru Nishinaga: "Synthesis, Structure, and Dynamic Behavior of Cyclopentadienyl-lithium, -sodium, and -potassium Annelated with Bicyclo[2.2.2]octene Units : A Systematic Study on Site Exchange of Alkali Metals on a Cyclopentadienyl Ring in Tetrahydrofuran"Journal of the American Chemical Society. 125巻24号. 7324-7335 (2003)
• [Publications] Koichi Komatsu: "Synthesis of Open-Cage Fullerene Derivatives and Encapsulation of Small Molecules"Fullerenes. 13巻. 252-257 (2003)
• [Publications] 佃達哉: "先端化学シリーズIV理論・計算化学,クラスター,スペースケミストリー(日本化学会編)"丸善. 107-111 (2003)
• [Publications] 多田博一(分担執筆): "ナノテクノロジーハンドブック 担当:有機トランジスタ"オーム社. 935(4) (2003)
• [Publications] 多田博一(分担執筆): "有機トランジスターの構造・特性とその作成、実用化技術 担当:有機半導体膜のキャリア移動度測定技術"技術情報協会. 333(11) (2003)
• [Publications] K.Inoue: ""Chiral Molecule-based Magnets", Magnetism : Molecules to Materials V, Molecule-Based Materials"J.S.Miller & M.Drillon Eds, Wiley-vch. 30 (2004)
• [Publications] M.Lippmaa: "Combinatorial Materials Synthesis "Parallel Synthesis of Artificially Designed Lattices and Devices""MARCEL DEKKER, INC.. 469 (2003)
• [Publications] 川崎雅司(分担): "先端化学シリーズII電気化学/光化学/無機固体/環境ケミカルサイエンス 「1.コンビナトリアル固体材料化学」(日本化学会編)"丸善株式会社. 338 (2003)
• [Publications] K.Kawazoe, et al.: "Structure and Properties of Aperiodic Materials"Springer. 207 (2003)
• [Publications] 森 初果: "実験化学講座"丸善(印刷中).
• [Publications] 中原勝: "日本化学会編、化学便覧基礎編"丸善. II 127-II 129,II 144-II 149 (2004)
• [Publications] T.Terashima: "Vortex Eletronics and SQUIDs"Springer-Verlag, Berlin, Heidelberg. 11 (2003)