計算物理学ー物性研究における新展開ー・総括班

1992 年度 実績報告書

• 研究課題/領域番号: 04231103
• 研究機関: 筑波大学
• 研究代表者: 高山 一 筑波大学, 物理学系, 教授 (40091475)
• 研究分担者: 岡部 豊 東京都立大学, 理学部, 教授 (60125515) ; 今田 正俊 東京大学, 物性研究所, 助教授 (70143542) ; 米沢 富美子 慶応義塾大学, 理工学部, 教授 (10027344) ; 斯波 弘行 東京工業大学, 理学部, 教授 (30028196) ; 塚田 捷 東京大学, 理学部, 教授 (90011650)
• キーワード: 計算物理(学) / Car-Parrinello法 / ランダム系 / 分子動力学法 / 量子モンテカルロ法 / 並列計算(機)

研究概要

本重点領域は、今年度42名の計画研究班員と24名の公募研究者が参加し、それぞれの分野で、計算手法の開発および物性現象の解明が進み、着実に成果を挙げている。
本研究計画(総括班)としての活動は昨年度と同様に、領域全体の視点からの研究計画の吟味、領域全体研究会の開催(1月7〜9日、滋賀県守山)、および、領域ニュースレターの発行を行った他、下記の総括班企画研究会を開催した。また、中間年度ヒアリングでこれまでの経過と成果の報告を行い、さらに、研究の進捗状況から早急に計算機器の充実が必要と判断されたグループに設備費の支援を行なった。
総括班企画研究会「物性研究における計算物理(CPCMP)・II」を開催した(9月19〜21日、東京)。テーマは第一原理からの電子状態計算(主にCar-Parrinello法)、ランダム系に関するモンテカルロシミュレーション、および、分子動力学法を中心とした多体系の動力学であった。昨年度開催した第1回目と同様に、本領域研究で招へいしたD.H.Vanderbilt氏(米国)の他に、国内で開催された国際会議「CAMSE92」で来日した9名の国外研究者の参加も得て国際研究集会とし、活発な研究発表と討論が展開され、大きな成果が得られた。
量子系に関する基本的な計算手法の一つであり、負符号問題と呼ばれる困難を抱えている量子モンテカルロ法についての総括班企画研究会を開催した(5月10〜12日、箱根)。計画研究2.3班の研究者が多数参加し、班枠を越えた活発な討議が行なわれた。
尚、1月の領域全体研究会では並列計算機に関する特別セッションを設け、今後の動向を検討した。

研究成果

• [文献書誌] K.Nemoto: "Anomalous Phase in the 2D EA Ising Spin Glass" 'Computatuional Approaches in Condensed Matter Physics'eds.S.Miyashita et al.(Springer,Berlin). 242-243 (1992)
• [文献書誌] K.Hukushima: "Relaxational Dynamics in 2D Ising and 3D Isotropic Heisenberg Spin Glasses" Proc.Intern.Conf.on'CAMSE'92'(Yokohama,Sept.1992).
• [文献書誌] K.Nishimura: "Phase Diagram of the Naive Mean Field Model for Spin Glasses" J.Phys.:Condens.Matter. 4. 5561-5572 (1992)
• [文献書誌] K.Hukushima: "Monte Carlo Study on the Spin Dynamics of the 2D ±J Ising Spin Glass Model" J.Phys.:Condens.Matter.
• [文献書誌] M.Tsukada: "Microscopic Theory of Light Emission from the Scanning Tunneling Microscope" Ultramicroscopy. 42-44. 360-365 (1992)
• [文献書誌] S.Watanabe: "First-Principles Calculation of the STM Images of the Si(III)√<3>x√<3>-Ag Surface" Ultramicroscopy. 42-44. 105-108 (1992)
• [文献書誌] M.Tsukada: "Connected Vacuum Tail Method and Ith Application to STM" Surface Sci.266. 253-258 (1992)
• [文献書誌] K.Kobayashi: "Theory of STM Images of Monolayer Graphite on Transition-Metal Surface" Appl Surface Sci.60/61. 443-447 (1992)
• [文献書誌] 塚田 捷: "第一原理的分子動力学法の現状と展望" 別冊数理科学:「シミュレーション」.
• [文献書誌] Th.Pruschke: "Superconducting Correlations in One-Dimensional t-J Model" Phys.Rev.B. 46. 356-365 (1992)
• [文献書誌] K.Satori: "Numerical Renormalization Group Study of Magnetic Impurities in Superconductors" J.Phys.Soc.Jpn.61. 3239-3254 (1992)
• [文献書誌] T.Ohyama: "Effective Hamiltonian and Phase Transition of Hexagonal Heisenberg Antiferromagnets with Easy-Axis Anisotropy" J.Phys.Soc.Jpn.61. 4174-4186 (1992)
• [文献書誌] H.Shiba: "Properties of One-Dimensional Strongly Correlated Electrons" Prog.Theor.Phys.Suppl.108. 265-286 (1992)
• [文献書誌] F.Yonezawa: "Introduction to Molecular Dynamics" Springer Series in Solid State Sciences. 103. 3-10 (1992)
• [文献書誌] F.Yonezawa: "Molecular Dynamics Study of Fluctuations and Relaxation in Disoredered Systems--Liquid and Glass" Springer Series in Solid State Sciences. 103. 41-64 (1992)
• [文献書誌] T.Nagao: "Effects of Magnetic Impurities in High-Temperature Superconductors" Solid State Commun.81. 847-852K (1992)
• [文献書誌] T.Nagao: "Magnetic-impurity effect in the spin-density-wave model of high-temperature superconductivity" Phys.Rev.B. 46. 6413-6421 (1992)
• [文献書誌] T.Yamaguchi: "A Theoretical Approach to the Optical Gaps of 1D-and 3D-Se_x- _xTe_x" J.Phys.Soc.Jpn.61. 1240-1248 (1992)
• [文献書誌] F.Yonezawa: "Ab-Initio Molecular Dynamics Simulations of the Staebler-Wronski Effect in aSi:H" OPTOELECTRONICS-Devices and Technologies. 7. 117-132 (1992)
• [文献書誌] F.Yonezawa: "Traditional and Ab-Initio Molecular Dynamics Simulation-Applications to Glass Transition and Amorphous SiH" Springer Proc.in Phys.70. 41-51 (1992)
• [文献書誌] K.M.Aoki: "Molecular Dynamics Studies of Smectic B Liquid of Soft Parallel Spherocylinders with Sixfold Bond Orientational Order" Phys.Rev.Lett.69. 2780-2783 (1992)
• [文献書誌] M.Imada: "On Dimer Pairing Mechanism of Superconductivity" J.Phys.Soc.Jpn.61. 423-427 (1992)
• [文献書誌] N.Furukawa: "Fixed Point of the Spin-Fermion Model Doped with a Single Fermion" J.Phys.Soc.Jpn.61. 2048-2055 (1992)
• [文献書誌] N.Furukawa: "Two-Dimensional Hubbard Model-Metal Insulator Transition Studied by Monte Carlo Calculation-" J.Phys.Soc.Jpn.61. 3331-3354 (1992)
• [文献書誌] M.Imada: "Crossover of Spin Correlations in the One-Dimensional Hubbard Model" J.Phys.Soc.Jpn.61. 3861-3864 (1992)
• [文献書誌] M.Kikuchi: "Order-Parameter Distribution Function and Order of the Phase Transition of the Ferromagnetic Potts Model" J.Phys.Soc.Jpn.61. 3503-3510 (1992)
• [文献書誌] K.Satoh: "Critical Phenomenon in a Neural Network Model:A Localization Transition of Excited Clusters" J.Phys.Soc.Jpn.62. 64-71 (1993)
• [文献書誌] K.Kobayashi: "Optimized structures and electronic properties of alkali-metal(Na,K)-absorbed Si(001)surfaces" Phys.Rev B. 45. 3469-3484 (1992)
• [文献書誌] T.Asada: "Cohesive properties of iron obtained by use of the generalized gradient approximation" Phys.Rev.B. 46. 13599-13602 (1992)
• [文献書誌] Y.Morikawa: "First-principles molecular dynamics study of alkali-metal adsorption on the Si(001)surface" Surf.Sci.
• [文献書誌] T.Ando: "Edge and Bulk Landau States in Quantum Hall Regime" J.Phys.Soc.Jpn.61. 415-418 (1992)
• [文献書誌] S.Wakahara: "Theory of Hot-Electron Transport in Strong Magnetic Fields" J.Phys.Soc.Jpn.61. 1257-1270 (1992)
• [文献書誌] T.Ando: "Conductance Fluctuations in Quantum Wires with Spin-Orbit and Boundary Roughness Scattering" Phys.Rev.B. 46. 2332-2338 (1992)
• [文献書誌] M.Suzuki: "Genral Theory of Higher-Order Decomposition of Exponential Operators and Symplectic Interators" Phys.Lett.A. 165. 387-395 (1992)
• [文献書誌] M.Suzuke: "General Nonsymmetric Higher-Order Decomposition of Exponential Operators and Symplectic Integrators" J.Phys.Soc.Jpn.61. 3015-3019 (1992)
• [文献書誌] A.Lipowski: "Convergence of Mean-Field Approximations in Site Per-colation and Application of CAM to D=1 Further Neigh-bours Percalation Problem" J.Stat.Phys.69. 1-16 (1992)
• [文献書誌] A.Lipowski: "Study on Phase Transitions of Antiferromagnetic Isin Models Using the Coherent-Anomaly method" J.Phys.Soc.Jpn.61. 2484-2490 (1992)
• [文献書誌] K.Minami: "Coherent-Anomaly Method Applied to the Eight-Vertex Model" Physica A. 187. 282-307 (1992)
• [文献書誌] N.Kawashima: "Monte carlo Study of the Three-Dimensional ±J Ising Spin-Glass model in a magnetic Field" J.Phys.Soc.Jpn.61. 1777-1786 (1992)
• [文献書誌] Y.Kinoshita: "Coherent-Anomaly Anolysis of Series Expansions and its Application to the Ising Model" J.Phys.Soc.Jpn.61. 3887-3901 (1992)
• [文献書誌] T.Kawarabayashi: "Chiral Orders in the Two-Dimensional Heisenberg Model" J.Mag.Mag.Mater.104-107. 929-930 (1992)
• [文献書誌] T.Momoi: "Vector Chiral Order in the Quantum XXZ Antiferromagnet on a Trianglar Lattice Analyzed with the Super-Effective-Field Theory" J.Phys.Soc.Jpn.61. 3277-3286 (1992)
• [文献書誌] T.Momoi: "Ground-State Properties and Phase Diagram of the Quantum XXZ Antiferromagnet on a Triangular Lattice" J.Phys.Soc.Jpn.61. 3732-3744 (1992)
• [文献書誌] N.Kawahima: "Critical Bahavior of the Two-Dimensional EA Model with a Gaussian Bond Distribution" J.Phys.A:Math.Gen.25. 4985-5003 (1992)
• [文献書誌] Y.Nonomura: "CAM Approach to the Ground-State Phase Transition in the Two-Dimensional Transverse Ising Model" J.Phys.A:Math.Gen.25. 5463-5473 (1992)
• [文献書誌] Y.Nonomura: "CAM Approach to Correlation Function of Quantum Spin Chain in the Ground State" J.Phys.Soc.Jpn.61. 3960-3965 (1992)
• [文献書誌] A.Lipowski: "On the Exact Solution of Two-Dimensional Spin S Ising Models" Physica A;to appear. (1993)
• [文献書誌] A.Lipowski: "Exact Critical Temperature by Mean-Field Approximation" J.Phys.Soc.Jpn.61. 4356-4366 (1992)
• [文献書誌] A.Lipowski: "The Layerd Ising Model-Mean-Field and Interfacial Approximations" J.Phys.Soc.Jpn.(1993)
• [文献書誌] T.Kawarabayashi: "A Self-Consistent Approach to Localization Transition" Physica A. 190. 252-263 (1992)
• [文献書誌] N.Hatano: "Ground-State Quantum Monte Carlo Method Applied to Altenating-Bond Spin Chains" J.Phys.Soc.Jpn.62. (1993)
• [文献書誌] N.Hatano: "Correlation Length of the S=2 Antiferromagnetic Heisenberg Chain" J.Phys.Soc.Jpn.62. (1993)
• [文献書誌] M.Suzuki: "Fractal Path Integrals with Applications to Quantum Many-Bosy Systems" Physica A. 191. 501-515 (1992)
• [文献書誌] M.Suzuki: "Quantum Monte Carlo methods-Recent Developments" Physica A.
• [文献書誌] M.Suzuki: "Symmetry and Coherent Approximations in Non-Equilibrium Systems" (World Scientific).
• [文献書誌] M.suzuki: "Symmetry and Coherent Approximations in Statistical Physics" (World Scientific).
• [文献書誌] N.Kawashima: "Algorithms for Monte Carlo Simulations of the Ising Models on a Simple Cubic Lattice" Int.J.Mod.Phys.C. 4. (1993)
• [文献書誌] N.Kawashima: "Critical Behavior of the Three-Dimensional ±J Model in a Magnetic Field" J.Phys.Soc.Jpn.62. (1993)
• [文献書誌] H.Nishimori: "Note on twisted order in the frustrated quantum Heisenberag model" J.Phys.Soc.Jpn.61. 391-392 (1992)
• [文献書誌] H.Nishimoari: "Boundary between the ferromagnetic and spin glass phases" J.Phys.Soc.Jpn.61. 1011-1012 (1992)
• [文献書誌] Y.Saika: "Long-range order in the frustrated XXZ model" J.Phys.Soc.Jpn.61. 3086-3095 (1992)
• [文献書誌] T.Nakamura: "Reweighting method for quantum Monte Carlo simulations with the negative-sign problem" J.Phys.Soc.Jpn.61. 3494-3502 (1992)
• [文献書誌] Y.Ozeki: "Lower critical dimension of the XY spin glass" Phys.Rev.B. 46. 2879-2884 (1992)
• [文献書誌] 雑賀 洋平: "反強磁性量子スピン系へのアプローチ" 物性研究. 57. 709-751 (1992)
• [文献書誌] K.Maruo: "Dynamical Spin correlation function in CsCo_pMg_1- _pCl_3" J.Phys.:Condens.Matter. 4. 2641-2650 (1992)
• [文献書誌] F.Matsubara: "Finite-Temperature Phase Transition in Metallic Spin-Glass Alloys" Phys.Rev.Lett.68. 3781-3784 (1992)
• [文献書誌] T.Shirakura: "Brakedown of the Strong Universality of the Three-Dimentional ±J Ising Model" J.Phys.Soc.Jpn.61. 3417-3418 (1992)
• [文献書誌] F.Matsubara: "Reentant mixed phase of a short-range ±J Heisenberg model with anisotropy in three dimentions" Phys.Rev.B. 46. 8282-8286 (1992)
• [文献書誌] K.Murao: "Simulation of Magnetivation Process of CsCoCl_o" J.Phys.Soc.Jpn.61. 4577-4582 (1992)
• [文献書誌] M.Iguchi: "Hybrid Monte-Carlo spin-dynamics simulation of metallic spin-glass alloys" Phys.Rev.B.
• [文献書誌] O.Nagai: "Ground state of the antiferromagnitic Ising model of general spin S on a triangular lattice" Phys.Rev.B. 47. 202-205 (1993)
• [文献書誌] O.Nagai: "Spin Ordering Property of a System with Nearly Degenerate States" 'Computational approaches in condensed Matter Physics'.eds.S.Miyashita et al.(Springer-Berlin). 200-204 (1992)
• [文献書誌] T.Horiguchi: "Low-Temperature Behaviours of Antiferromagnetic Ising Model of Infinite-Spin on Triangular Lattice" J.Phys.Soc.Jpn.61. 3114-3124 (1992)
• [文献書誌] S.Miyashita: "Quantum Effect in Random Spin Systems" 'Computational approaches in Condensed Matter Physics',eds.S.Miyashita et al.(Springer,Berlin). 145-151 (1992)
• [文献書誌] J.Behre: "Quantum Monte Carlo simulation of diluted Heisenberg antiferromagnets(S=1/2)on the square lattice" J.Phys.A:Math.Gen.25. 4745-4755 (1992)
• [文献書誌] H.Tomita: "Statistical properties of the relaxation processes of metastable state in the kinetic Ising model" Phys.Rev.B. 46. 8886-8893 (1992)
• [文献書誌] S.Miyashita: "Relaxation phenomena of the Fuzzy-spin model" 'Slow dynamics in condensed matter'eds.K.Kawasaki et al.(AIP press NY). 427-430
• [文献書誌] K.Kawasaki: "Spinodal Decomposition in Binary Fluid Mixtures" 'W.E.Heraeus Seminar'eds.W.Ebeling et al.(World Scientific). (1993)
• [文献書誌] K.Kawasaki: "Mechanical and Flow Behavior of Two-Dimensional Foams" J.Mechanical Behavior of Materials. 4. 51-60 (1992)
• [文献書誌] K.Kawasaki: "Computer Simuration Studies of Simplified Models of Celluar Systems" 'Symposium on Modeling Coarsening and Grain Growth',TMS 1992 Annual meeting,Chicago,Illinois,November2-3,. (1992)
• [文献書誌] D.Andelman: "Equilibrium Shape of Two-Component Unilamellar Membranes and Vesicles" Europhys.Lett.19. 57-62 (1992)
• [文献書誌] T.Kawakatsu: "Phase Transitions in Binary Systems in the Presence of Amphiphillic Molecules" 'From Phase Transitions to Chaos'eds G.Gyorgyi et al.(World Scientific). 25-46 (1992)
• [文献書誌] S.Nose: "Dynamical Behavior of a thermostated isotropic harmonic oscillator" Phys.Rev.B. 47. (1993)
• [文献書誌] S.Kanbayashi: "Instability and Phase Separation of a Binay Mixture:The Role of Short-range Repulsion and Core-size Ratio" Phys.Rev.A. 46. 1014-1021 (1992)
• [文献書誌] T.Odagaki: "Apparent Subdiffusive Properties of a Supercooled Fluid" Phys.Rev.A. 46. 1250-1252 (1992)
• [文献書誌] T.Odagagi: "Stochastic dynamics in a supercooled fluid" AIP Con.Proc.256. 115-121 (1992)
• [文献書誌] Y.Hiwatari: "Molecular-Dynamics Study of Highly Supercooled Liquids:Dynomical Singularitics near the Liquid-Glass Transition" AIP Conf.Proc.256. 155-164 (1992)
• [文献書誌] J.Habasaki: "A Study of the Mecanism of the Liquid-Glass Transition in Lithium Metasilicate" AIP Conf.Proc.256. 187-188 (1992)
• [文献書誌] S.Itoh: "Molecular Dynamics Study on the Glass Transition of LiI:About Dynamical Singularities" AIP Conf.Proc.256. 189-190 (1992)
• [文献書誌] Y.Hiwatari: "Molecular Dynamics Study of the Self-Diffusion and the Liquid-Glass Transition" Springer Series in Solid-State Science. 103. 32-48 (1992)
• [文献書誌] J.Habasaki: "Transport and Dynamical Correlations in Glassy States and the Liquid-Glass transition of Li_2Sio_o" Springer series in Solid-State Science. 103. 98-108 (1992)
• [文献書誌] S.Miyashita,M.Imada and H.Takayama: "Computatuonal approaches in Condensed Matter Physics" Spiringer-Verlag, 299 (1992)