東北大学金属材料研究所川添研究室-Institute for Materials Research, Tohoku University Kawazoe Laboratory

1. Zeng Zhong, Mizuseki Hiroshi, Ichinoseki Kyoko, Higashino Kazuyuki and Kawazoe Yoshiyuki

   Numerical Simulation of Convection Depth in Shear Cell under Microgravity

   Adv. Space Res., 24[10] (1999), 1321-1324

2. Farajian Amir Abbas, Ohno Kaoru, Esfarjani Keivan, Maruyama Yutaka and Kawazoe Yoshiyuki

   Ab Initio Study of Dopant Insertion into Carbon Nanotubes

   J. Chem. Phys., 111[5] (1999), 2164-2168

3. Sahara Ryoji, Mizuseki Hiroshi, Ohno Kaoru and Kawazoe Yoshiyuki

   Weak Universality of a Site-Percolation Model with Two Different Sizes of Particles on a Square Lattice

   J. Phys. Soc. Jpn., 68[12] (1999), 3755-3758

4. Zhu Jia Lin, Zhu Zi Qiang, Kawazoe Yoshiyuki and Yao Takafumi

   Interactions and Oscillations in Quantum Dots

   J. Phys.: Condens. Matter, 11 (1999), 229-238

5. Miao Jian, Wu Chang Qin, Sun Xin, Fu Rong Tang, Li Zhi Qiang and Kawazoe Yoshiyuki

   Vibrational Analysis of a Trans-Polyacetylene Chain

   Synth. Met., 101 (1999), 314-315

6. Wu Chang Qin and Kawazoe Yoshiyuki

   First-Principles Determination of Possible Geometries in Cis-Polyacetylene

   Synth. Met., 101 (1999), 507-508

7. Kawazoe Yoshiyuki, Ohno Kaoru, Shiga Keiichiro, Kamiyama Hiroshi, Tang Zheng, Hasegawa Masayuki and Matsui Hideki

   How Accurate the First-Principles Calculations Can Be Applied to Nuclear Reactor Materials Research?

   Nucl. Instrum. Methods Phys. Res., Sect. B, 153 (1999), 77-86

8. Wang Jian Tao, Zhou Lei and Kawazoe Yoshiyuki

   Ab initio Studies on the Structural and Magnetic Properties of FeCu Superlattices

   Phys. Rev. B, 60[5] (1999), 3025-3028

9. Wang Jian Tao, Zhou Lei and Kawazoe Yoshiyuki

   First-Principles Studies on the Structural and Magnetic Properties of 3d/(Cu,Ag,Au) Multilayers

   Mater. Trans., JIM, 40[11] (1999), 1228-1236

10. Bae Y.C., Ohno Kaoru and Kawazoe Yoshiyuki

    All-Electron Mixed-Basis Calculation with Conjugated Gradient Method to Optimize Structure of Copper Clusters

    Mater. Trans., JIM, 40[11] (1999), 1205-1208

11. Belosludov Rodion Vladimirovich, Li Zhi Qiang and Kawazoe Yoshiyuki

    Ab initio HF, MP2 and DFT Studies of the Structures, Vibrations and Energetics of the Urea Dimer and Trimer

    Mol. Eng., 8 (1999), 105-119

12. Belosludov Rodion Vladimirovich, Sluiter Marcel H.F., Li Zhi Qiang and Kawazoe Yoshiyuki

    Ab Initio and Lattice Dynamics Studies of the Vibrational and Geometrical Properties of the Molecular Complex of Hydroquinone and C[60]

    Chem. Phys. Lett., 312 (1999), 299-305

13. Esfarjani Keivan, Farajian Amir Abbas, Hashi Yuichi and Kawazoe Yoshiyuki

    Electronic and Transport Properties of N-P Doped Nanotubes

    Appl. Phys. Lett., 74[1] (1999), 79-81

14. Farajian Amir Abbas, Esfarjani Keivan and Kawazoe Yoshiyuki

    Nonlinear Coherent Transport Through Doped Nanotube Junctions

    Phys. Rev. Lett., 82[25] (1999), 5084-5087

15. Gu Bing Lin, Wu Jian, Yu Jing Zhi, Ohno Kaoru and Kawazoe Yoshiyuki

    The Study on Transmission Properties of Carbon Nanotubes by Recursive Green's Function Method

    Trans. Mater. Res. Soc. Jpn., 24[2] (1999), 205-208

16. Ohtsuki Tsutomu, Ohno Kaoru, Shiga Keiichiro, Kawazoe Yoshiyuki, Maruyama Yutaka and Masumoto Kazuyoshi

    Formation of As- and Ge-Doped Heterofullerenes

    Phys. Rev. B, 60[3] (1999), 1531-1534

17. Onoe Jun, Hashi Yuichi, Esfarjani Keivan, Hara Toshiki, Kawazoe Yoshiyuki and Takeuchi Kazuo

    In-Situ Infrared Spectroscopy of a Photoirradiated Potassium-Doped C[60] Film

    Chem. Phys. Lett., 315 (1999), 19-24

18. Sakurai Masaki, Sumiyama Kenji, Sun Qiang and Kawazoe Yoshiyuki

    Preferential Formation of Fe[13]O[8] Clusters in a Reactive Laser Vaporization Cluster Source

    J. Phys. Soc. Jpn., 68[11] (1999), 3497-3499

19. Taneda Akito and Kawazoe Yoshiyuki

    Stable Structures of Neutral and Charged Iron Clusters by Self-Consistent Tight-Binding Molecular-Dynamics

    Mater. Trans., JIM, 40[9] (1999), 859-862

20. Tsunekawa Shin, Sahara Ryoji, Kawazoe Yoshiyuki and Ishikawa Kenji

    Lattice Relaxation of Monosize CeO[2-x] Nanocrystalline Particles

    Appl. Surf. Sci., 152 (1999), 53-56

21. Wang Qian, Sun Qiang, Yu Jing Zhi and Kawazoe Yoshiyuki

    Capacitance of Microclusters

    Mater. Trans., JIM, 40[11] (1999), 1224-1227

22. Wang Qian, Sun Qiang, Yu Jing Zhi, Ishihara Masahito and Kawazoe Yoshiyuki

    First-Principles Studies on the Adsorptive Properties of Hydrogenated Si Cluster

    Physica B, 269 (1999), 239-243

23. Wang Quan, Sun Qiang, Sakurai Masaki, Yu Jing Zhi, Gu Bing Lin, Sumiyama Kenji and Kawazoe Yoshiyuki

    Geometry and Electronic Structure of Magic Iron Oxide Clusters

    Phys. Rev. B, 59 (1999), 12672-12677

24. Wang Xiao Dong, Fu Rong Tang, Sun Xin and Kawazoe Yoshiyuki

    Zero-Point Motions in Charged C[60]

    Synth. Met., 103 (1999), 2452-2453

25. Wu Jian, Gu Bing Lin, Liu Jun Jie, Guo You Jiang, Zhu Jia Lin, Yu Jing Zhi and Kawazoe Yoshiyuki

    Transmission through a Mesoscopic Ring with a Quantum Dot

    Phys. Lett. A, 262 (1999), 245-250

26. Belosludov Rodion Vladimirovich, Kawazoe Yoshiyuki, Grachev Evgenie Vladimirovich, Dyadin Yuri Alekseevich and Belosludov Vladimir Romanovich

    Lattice Dynamics of Helium Gas Hydrates Based on Ice Framework: Dynamic and Thermodynamic Stability

    Solid State Commun., 109 (1999), 157-162

27. Sluiter Marcel H.F. and Kawazoe Yoshiyuki

    A Simple Model for the Cyclic Amorphization Phenomenon

    Acta Mater., 47[2] (1999), 475-480

28. Tse John S., Klug Dennis Dwayne, Tulk Chris A., Swainson Ian, Svensson E.C., Loong Chun Keung, Shpakov Vladimir Petrovich, Belosludov Vladimir Romanovich, Belosludov Rodion Vladimirovich and Kawazoe Yoshiyuki

    The Mechanisms for Pressure-Induced Amorphization of Ice I[h]

    Nature, 400 (1999), 647-649

29. Sluiter Marcel H.F. and Kawazoe Yoshiyuki

    Explanation for the Configurational Heat Capacity of Ordered Phases

    Phys. Rev. B, 59[5] (1999), 3280-3282

30. Sluiter Marcel H.F., Hashi Yuichi and Kawazoe Yoshiyuki

    The Effect of Segregation and Partial Order on the Thermodynamics of (111) Antiphase Boundaries in Ni[3]Al

    Comput. Mater. Sci., 14 (1999), 283-290

31. Sluiter Marcel H.F., Weinert Micheal and Kawazoe Yoshiyuki

    Force Constants for Substitutional Alloys

    Phys. Rev. B, 59[6] (1999), 4100-4111

32. Yu Jing Zhi, Sun Qiang, Wang Qian and Kawazoe Yoshiyuki

    Theoretical Study of Hydrogen Solubility in Fe, Co and Ni

    Mater. Trans., JIM, 40[9] (1999), 855-858

33. Mizuseki Hiroshi and Kawazoe Yoshiyuki

    Simulation of Crystal Growth in Solution by Hybrid Modeling

    Mater. Trans., JIM, 40[11] (1999), 1337-1341

34. Tang Zheng, Hasegawa Masayuki, Shimamura Takeo, Nagai Yasuyoshi, Chiba Toshinobu, Kawazoe Yoshiyuki, Takenaka Minoru, Kuramoto Ei-ichi and Iwata Tadao

    Stable Vacancy Clusters in Neutron-Irradiated Graphite: Evidence for Aggregations with a Magic Number

    Phys. Rev. Lett., 82[12] (1999), 2532-2535

35. Vannarat Sornthep, Sluiter Marcel H.F. and Kawazoe Yoshiyuki

    Effect of Lattice Coherency on Solution Energies of Impurities: Stability of an Epitaxial InAs Monolayer Deposited on GaAs

    Mater. Trans., JIM, 40[11] (1999), 1295-1300

36. Wang Hai Ping, Sluiter Marcel H.F. and Kawazoe Yoshiyuki

    Prediction of the Effect of Ti on the (111) and (100) Antiphase Boundary Energy in Ni[3]Al

    Mater. Trans., JIM, 40[11] (1999), 1301-1305

37. Yu Jing Zhi, Sun Qiang, Wang Qian and Kawazoe Yoshiyuki

    Effect of Hydrogen on the Magnetism and Its Solubility in Ferromagnetic Nickel

    Mater. Trans., JIM, 40[11] (1999), 1244-1248

38. Sahara Ryoji, Mizuseki Hiroshi, Ohno Kaoru, Uda Satoshi, Fukuda Tsuguo and Kawazoe Yoshiyuki

    Body-Centered-Cubic Lattice Model with Many-Body Interactions Representing the Melting Transition in Si

    J. Chem. Phys., 110[19] (1999), 9608-9617

39. Esfarjani Keivan, Farajian Amir Abbas and Kawazoe Yoshiyuki

    Localized Basis Set Optimization

    Comput. Mater. Sci., 15 (1999), 351-356

40. Ishii Soh, Ohno Kaoru and Kawazoe Yoshiyuki

    Dielectric Response Functions Studied by an All-Electron Mixed-Basis Approach

    Mater. Trans., JIM, 40[11] (1999), 1209-1212

41. Shiga Keiichiro, Ohno Kaoru, Kawazoe Yoshiyuki, Fu Rong Tang and Maruyama Yutaka

    Absolute Total Energy of Small Copper Clusters in an All-Electron Mixed-Basis Approach with the Generalized-Gradient Approximation

    J. Mater. Res., 14[3] (1999), 980-983

42. Farajian Amir Abbas, Esfarjani Keivan and Kawazoe Yoshiyuki

    The Three-Fermion Problem in Two and Three Dimensions; A Unified Variational Approach

    J. Phys. B: At., Mol. Opt. Phys., 32 (1999), 749-756

43. Ishihara Masahito, Mizuseki Hiroshi, Ohno Kaoru and Kawazoe Yoshiyuki

    Multi-Valued Magnetic Recording Materials Predicted by Self-Organized Magnetization Dynamics

    Mater. Trans., JIM, 40[11] (1999), 1319-1322

44. Ishihara Masahito, Mizuseki Hiroshi, Ohno Kaoru and Kawazoe Yoshiyuki

    Self-Organized Magnetic Recording System

    J. Magn. Soc. Jpn., 23[1-2] (1999), 667-669

45. Sun Qiang, Hashi Yuichi, Zhou Lei, Wang Qian, Yu Jing Zhi, Zeng Zhong and Kawazoe Yoshiyuki

    On the Metastable States of Low Dimensional Magnetic Systems

    J. Magn. Soc. Jpn., 23[1-2] (1999), 590-592

46. Wang Jian Tao, Li Zhi Qiang and Kawazoe Yoshiyuki

    First-Principles Calculation of the Structural and Magnetic Properties of (Cr, Mn, Fe)/ Ag Monatomic Multilayers

    J. Magn. Soc. Jpn., 23[1-2] (1999), 584-586

47. Wang Jian Tao, Li Zhi Qiang, Zhou Lei, Kawazoe Yoshiyuki and Wang Ding Sheng

    Stabilities of Spin Configuration and Exchange Interactions in (Cr, Mn, Fe)/Ag Monatomic Multilayers

    Phys. Rev. B, 59[10] (1999), 6974-6978

48. Zhou Lei and Kawazoe Yoshiyuki

    Unified Spin-Wave Theory for Quantum Spin Systems with Single-Ion Anisotropies

    J. Phys. A, 32 (1999), 6687-6704

49. Zhou Lei, Hashi Yuichi, Sun Qiang, Yu Jing Zhi, Wang Ding Sheng and Kawazoe Yoshiyuki

    Atomistic Theory of the Critical Field for Intrinsic Spin Reversal in Transition Metals

    Phys. Rev. B, 59[2] (1999), 1028-1035

50. Zhou Lei, Sun Qiang, Wang Jian Tao, Yu Jing Zhi and Kawazoe Yoshiyuki

    Quantum Method for Calculating the Coercivities of Transition-Metal Magnetic Systems

    J. Magn. Soc. Jpn., 23[1-2] (1999), 412-414

51. Zhou Lei, Wang Ding Sheng and Kawazoe Yoshiyuki

    Orbital Correlation and Magnetocrystalline Anisotropy in One-Dimensional Transition-Metal Systems

    Phys. Rev. B, 60[13] (1999), 9545-9549

52. Zhou Lei, Wang Jian Tao, Wang Ding Sheng and Kawazoe Yoshiyuki

    Orbital Correlation Effects in Transition Metal Microclusters

    Mater. Trans., JIM, 40[11] (1999), 1237-1243

53. Zhou Yu Mei, Wang Ding Sheng and Kawazoe Yoshiyuki

    Effective ab initio Exchange Integrals and Magnetic Phase Transition in fcc Fe and Mn Antiferromagnets

    Phys. Rev. B, 59[13] (1999), 8387-8390

54. Guo Yong, Gu Bing Lin, Zeng Zhong and Kawazoe Yoshiyuki

    Size Effect on Quasibound States and Negative Differential Resistances in Step-Barrier Structures

    Phys. Lett. A, 261 (1999), 114-118

55. Hitosugi Taro, Heike Seiji, Onogi Toshiyuki, Hashizume Tomihiro, Watanabe Satoru, Li Zhi Qiang, Ohno Kaoru, Kawazoe Yoshiyuki, Hasegawa Tetsuya and Kitazawa Kouichi

    Jahn-Teller Distortion in Dangling-Bond Linear Chains Fabricated on a Hydrogen-Terminated Si(100)-2x1 Surface

    Phys. Rev. Lett., 82[20] (1999), 4034-4037

56. Parlinski Krzystof and Kawazoe Yoshiyuki

    Ab Initio Study of Phonons in Hexagonal GaN

    Phys. Rev. B, 60[23] (1999), 15511-15514

57. Parlinski Krzystof, Li Zhi Qiang and Kawazoe Yoshiyuki

    How to Simulate a Structural Phase Transition by the First-Principles Method?

    Phase Transitions, 67 (1999), 681-693

58. Belosludov Rodion Vladimirovich, Hiwada Tohru, Kawazoe Yoshiyuki, Ohno Kaoru, Yoshinari Takehisa, Ohnishi Akimasa and Nagasaka Shin-ichiro

    Intermolecular Bonds Bridging Two Anthracene Molecules in A [gamma]-Cyclodextrin

    J. Solid State Chem., 144 (1999), 263-271

59. Shiga Keiichiro, Ohno Kaoru, Maruyama Yutaka, Kawazoe Yoshiyuki and Ohtsuki Tsutomu

    Ab Initio Molecular Dynamics in an All-Electron Mixed-Basis Approach: Application to Atomic Insertions to C[60]

    Model. Simul. Mater. Sci. Eng., 7 (1999), 621-630

60. Taneda Akito and Kawazoe Yoshiyuki

    A Tight-Binding Molecular-Dynamics Study of Copper Clusters

    Mater. Trans., JIM, 40[11] (1999), 1255-1257

61. Ichikawa Hiroshi, Sahara Ryoji, Mizuseki Hiroshi, Ohno Kaoru and Kawazoe Yoshiyuki

    Monte Carlo Simulation of Cu-Au Alloys on FCC Lattice with a Renormalized Potential

    Mater. Trans., JIM, 40[9] (1999), 911-914

62. Mizuseki Hiroshi, Jin Ying, Yu Jing Zhi and Kawazoe Yoshiyuki

    Cluster Growth in Cluster Beam Deposition Process by Direct Simulation Monte Carlo

    J. Magn. Soc. Jpn., 23[S1] (1999), 103-106

63. Sahara Ryoji, Mizuseki Hiroshi, Ohno Kaoru and Kawazoe Yoshiyuki

    Site-Percolation Models Including Heterogeneous Particles on a Square Lattice

    Mater. Trans., JIM, 40[11] (1999), 1314-1318

64. Zeng Zhong, Mizuseki Hiroshi, Higashino Kazuyuki and Kawazoe Yoshiyuki

    Direct Numerical Simulation of Oscillatory Marangoni Convection in Cylindrical Liquid Bridges

    J. Cryst. Growth, 204 (1999), 395-404

65. Zeng Zhong, Mizuseki Hiroshi, Higashino Kazuyuki and Kawazoe Yoshiyuki

    Numerical Simulation of Oscillatory Thermocapillary Convection in Liquid Bridge

    Proc. SPIE Int. Soc. Opt. Eng., 3792 (1999), 353-362

66. Zeng Zhong, Mizuseki Hiroshi, Ichinoseki Kyoko, Higashino Kazuyuki and Kawazoe Yoshiyuki

    Marangoni Convection in Half-Zone Liquid Bridge

    Mater. Trans., JIM, 40[11] (1999), 1331-1336

67. Yu Jing Zhi, Takanashi Koki, Itoh Toshiyuki, Kaneko Takejiro, Abe Shunya, Fujimori Hiroyasu and Kawazoe Yoshiyuki

    Construction and Application of Materials Database for Non-Equilibrium and Metastable Phases

    Mater. Trans., JIM, 40[5] (1999), 424-427

68. Kawazoe Yoshiyuki

    Can Ab Initio Simulation Really Predict Properties of Materials Prior to Actually Carrying out the Experiments?

    Bull. Mater. Sci., 22[3] (1999), 735-739

69. Kawazoe Yoshiyuki

    Can ab initio Simulation Really Predict Properties of Materials Prior to Experimental

    Bull. Mater. Sci., 22[5] (1999), 901-904

70. Sakurai Masaki, Sun Qiang, Sumiyama Kenji and Kawazoe Yoshiyuki

    Stable Oxide Cluster Produced by Reactive Laser Vaporization Cluster Source and That Structure (in Japanese)

    Choubiryuusi to Cluster Kondankai dai 3kai kenkyu kai, (1999), 87-90

71. Esfarjani Keivan and Kawazoe Yoshiyuki

    The Renormalized Interaction Method: A New Order-N Algorithm

    Choubiryuusi to Cluster Kondankai dai 3kai kenkyu kai, (1999), 169-171

72. Farajian Amir Abbas, Esfarjani Keivan and Kawazoe Yoshiyuki

    Optimized Geometries and Charge Transfer in Ga and As Dimers on Si Surface

    Choubiryuusi to Cluster Kondankai dai 3kai kenkyu kai, (1999), 115-117

73. Taneda Akito and Kawazoe Yoshiyuki

    Stable Structures of Transition Metal Clusters by Self-Consistent Tight-Binding Molecular-Dynamics (in Japanese)

    Choubiryuusi to Cluster Kondankai dai 3kai kenkyu kai, (1999), 59-62

Contact Address

Institute For Materials Research Tohoku University
Katahira 2-1-1
Aoba-ku, Sendai
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