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. Exohedral Functionalization of the Icosahedral Cluster Si₂₀H₂₀ : a Density Functional Theory Study

   Chem. Phys. Lett., 383 (2004) pp.544-548

   Fabio Pichierri, Vijay Kumar and Yoshiyuki Kawazoe

2. Metal Encapsulated Nanotubes of Silicon and Germanium

   J. Mater. Chem., 14 (2004) pp.555-563

   Abhishek Kumar Singh, Vijay Kumar and Yoshiyuki Kawazoe

3. Effect of Sequential Oxidation on the Electronic Structure of Tungsten Clusters

   Chem. Phys. Lett., 387 (2004) pp.29-34

   Q. Sun, B. K. Rao, P. Jena, D. Stolcic, G. Gantef and Y. Kawazoe

4. Effect of Boron Non-Stoichiometry on B-Site in Perovskite Type Structure ScB_xRh₃ and CeB_xRh₃ on Charges of Atoms on A-Site: Study by X-ray Photoelectron and Nuclear Magnetic Resonance Spectroscopies

   J. Solid State Chem., 177 (2004) pp.457-460

   Masaoki Oku, Toetsu Shishido, Takeshi Shinohara, Qiang Sun, Yoshiyuki Kawazoe, Kazuo Nakajima and Kazuaki Wagatsuma

5. Stable Geometries and Magnetic Properties of Single-Walled Carbon Nanotubes Doped with 3d Transition Metals: A First-Principles Study

   Phys. Rev. B, 69 [7] (2004) pp.754141-754149

   Yosuke Yagi, Tina M. Briere, Marcel H. F. Sluiter, Vijay Kumar, Amir A. Farajian and Yoshiyuki Kawazoe

6. Ultra-Stable Nanoparticles of CdSe Revealed from Mass Spectrometry

   Nature Materials, 3 (2004) pp.99-102

   Atsuo Kasuya, Rajaratnam Sivamohan, Yurii A. Barnakov, Igor M. Dmitruk, Takashi Nirasawa, Volodymyr R. Romanyuk, Vijay Kumar, Sergiy V. Mamykin, Kazuyuki Tohji, Balachandran Jeyadevan, Kozo Shinoda, Toshiji Kudo, Osamu Terasaki, Zheng Liu, Rodion V. Belosludov, Vijayaraghavan Sundararajan and Yoshiyuki Kawazoe

7. Theoretical Study of Clathrate Hydrates with Multiple Occupation

   J. Inclusion Phenomena and Macrocyclic Chemistry, 48 (2004) pp.55-60

   Talgat M. Inerbaev, Vladimir R. Belosludov, Rodion V. Belosludov, Marcel Sluiter, Yoshiyuki Kawazoe and Jun-Ichi Kudoh

8. Aharonov-Bohm Effect in Higher Genus Materials

   Phys. Lett. A, 321 (2004) pp.369-375

   K. Sasaki, Y. Kawazoe and R. Saito

9. Local Atomic Structure in Czochralski-grown Ge_1-xSi_x Bulk Alloys

   Appl. Surf. Sci., 224 (2004) pp.193-196

   I. Yonenaga, M. Sakurai, M. H. F. Sluiter and Y. Kawazoe

10. Hydrodynamic Factors for Linear and Star Polymers on Lattice under the Theta Condition

    Polymer, 45 (2004) pp.1729-1733

    Kazuhito Shida, Kaoru Ohno, Yoshiyuki Kawazoe and Yo Nakamura

11. Electronic Transport Mechanism of a Molecular Electronic Device: Structural Effects and Terminal Atoms

    Phys. Lett. A, 323 (2004) pp.154-158

    Jun-Qiang Lu, Jian Wu, Hao Chen, Wenhui Duan, Bing-Lin Gu and Yoshiyuki Kawazoe

12. Soft Breakdown of an Insulating Nanowire in an Electric Field

    Nanotechnology, 15 (2004) pp.260-263

    Q. Sun, Q. Wang, Y. Kawazoe and P. Jena

13. Smallest Magic Caged Clusters of Si, Ge, Sn and Pb by Encapsulation of Transition Metal Atom

    Nano Letters, 4 [4] (2004) pp.677-681

    Vijay Kumar, Abhishek Kumar Singh and Yoshiyuki Kawazoe

14. Interaction of Magic Gold Cluster with Si₆₀ Cage

    Eur. Phys. J. D, 29 (2004) pp.231-234

    Q. Sun, Q. Wang, Y. Kawazoe and P. Jena

15. Electronic Transport Properties of a Metal-Semiconductor Carbon Nanotube Heterojunction

    Physica E, 22 (2004) pp.675-678

    Amir A. Farajian, Hiroshi Mizuseki and Yoshiyuki Kawazoe

16. Electron Transport in Molecular Enamel Wires

    Jpn. J. Appl. Phys., 43 [4B] (2004) pp.2061-2063

    Rodion V. Belosludov, Amir A. Farajian, Hiroshi Mizuseki, Kyoko Ichinoseki and Yoshiyuki Kawazoe

17. Three-Dimensional Unsteady Convection in LiCaAlF₆-Czochralski Growth

    J. Cryst. Growth, 266 (2004) pp.81-87

    Zhong Zeng, Jingqiu Chen, Hiroshi Mizuseki, Tsuguo Fukuda and Yoshiyuki Kawazoe

18. First-Principles Study of the Electronic Structures of Icosahedral TiN(N=13,19,43,55) Clusters

    Jour. Chem. Phys., 120[18] (2004) pp. 8463-8468

    Shan-Ying Wang, Jing-Zhi Yu, Hiroshi Mizuseki, Jia-An Yan, Yoshiyuki Kawazoe, Chong-Yu Wang

19. Thermodynamic Properties of the Cu-Au System Using a Face-Centered-Cubic Lattice Model with a Renormalized Potential

    J. Chem. Phys., 120[19] (2004) pp.9297-9301

    Ryoji Sahara, Kaoru Ohno, Hiroshi Kubo and Yoshiyuki Kawazoe

20. An Orbital-dependent Correlation Enaergy Functional in Density-function Theory for the Study of Strongly ﾐcorrelated Electronic Systems

    Materials Transactions, 45[5] (2004) pp.1402-1410

    Hiroshi Yasuhara, Masahiko Higuchi, Soh Ishii, Kenta Hongo and Yoshiyuki Kawazoe

21. Ab initio Study of Hydrogen Storage in Hydrogen Hydrate Clathrates

    Materials Transactions, 45[5] (2004) pp.1452-1454

    Marcel H. F. Sluiter, Hitoshi Adachi, Rodion V. Belosludov, Vladimir R. Belosludov and Yoshiyuki Kawazoe

22. Numerical Study on LiCaAlF6 Czochralski Crystal Growth

    Materials Transactions, 45[5] (2004) pp.1515-1521

    Zhong Zeng, Jingqiu Chen, Hiroshi Mizuseki, Hiroki Sato, Kiyoshi Shimamura, Kyoko Ichinoseki, Tsuguo Fukuda and Yoshiyuki Kawazoe

23. Oscillatory Thermocapillary Convection in Liquid Bridge under Microgravity

    Materials Transactions, 45[5] (2004) pp. 1522-1527

    Zhong Zeng, Hiroshi Mizuseki, Jingqiu Chen, Kyoko Ichinoseki and Yoshiyuki Kawazoe

24. Stability of Copper Atoms Embedded in Sodium-Chloride Crystals

    Materials Transactions, 45[5] (2004) pp.1450-1451

    Miou Furuya, Soh Ishii, Yoshio Takahashi, Shin-ichiro Nagasaka, Takehisa Yoshinari, Yoshiyuki Kawazoe and Kaoru Ohno

25. Growth and Magic Behavior of Metal Encapsulated Silicon Clusters

    Materials Transactions, 45[5] (2004) pp.1429-1432

    Hiroaki Kawamura, Vijay Kumar and Yoshiyuki Kawazoe

26. A Lead-free High-Tc Ferroelectric BaTi₂O₅:A First-principles Study

    Applied Physics Letters, 84[24] (2004) pp.4917-4919

    Umesh Waghmare, Marcel H. F. Sluiter, Teiichi Kimura, Takashi Goto and Yoshiyuki Kawazoe

27. Predictions of Novel Nanostructures of Silicon by Metal Encapsulation

    Computational Materials Science, 30 (2004) pp.260-268

    Vijay Kumar

28. Current-Voltage Characteristics of Molecular Devices at Low Bias

    Chin. Phys. Lett., 21[7] (2004) pp.1247-1250

    Liao Yun-Xing, Chen Hao, R. Note, H. Mizuseki and Y. Kawazoe

29. Ferromagnetism and Piezomagnetic behavior in Mn-doped Germanium Nanotubes

    Phys. Rev. B, 69 (2004) pp.2334061-2334064

    Abhishek Kumar Singh, Vijay Kumar and Yoshiyuki Kawazoe

30. Phase Diagram of Single-wall Carbon Nanotube Crystals under Hydrostatic Pressure

    Phys. Rev. B, 69 (2004) pp.2241111-22411111

    Marcel H. F. Sluiter and Yoshiyuki Kawazoe

31. Hydrogen Interaction on Rhodium Clusters

    Materials Transactions, 45[8] (2004) pp.2587-2589

    Young-Cho Bae, Hiroaki Osanai, Vijay Kumar and Yoshiyuki Kawazoe

32. Nanoswitch Based on Nanotubes: Bent-Nanotubes Transport

    International Journal of Nanoscience, 3[1-2] (2004) pp.131-136

    A. A. Farajian, B. I. Yakobson, H. Mizuseki and Y. Kawazoe

33. Dynamical Criteria for Cs Ion Insertion and Adsorption at Cap and Stem of Carbon Nanotubes: Ab Initio Study and Comparison with Experiment

    The Journal of Physical Chemistry B, 108[40] (2004) pp.15529-15535

    Mohammad Khazaei, Amir A. Farajian, Goo-Hwan Jeong, Hiroshi Mizuseki, Takamichi Hirata, Rikizo Hatakeyama, and Yoshiyuki Kawazoe

34. Design Proposal of Light Emitting Diode in Vacuum Ultraviolet Based on Perovskite-Like Fluoride Crystals

    Japanese Journal of Applied Physics, 43[9A/B] (2004) pp.L1140-L1143

    Riadh EL Ouenzerfi, Shingo Ono, Alex Quema, Masahiro Goto, Nobuhiko Sarukura, Takeshi Nishimatsu, Noriaki Terakubo, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Akira Yoshikawa and Tsuguo Fukuda

35. GW Calculation of a Carbon Oxide Molecule Using an All-Electron Mixed-Basis Approach

    Materials Transactions, 45[5] (2004) pp.1411-1413

    Soh Ishii, Kaoru Ohno and Yoshiyuki Kawazoe

36. Search for Perovskite-Type New borides in the Sc-TM-B(TM=Ti, V, Cr, Mn, Fe, Co, and Ni) Systems

    Journal of Alloys and Compounds, 383 (2004) pp.294-297

    T. Shishido, K. Kudou, T. Sasaki, S. Okada, J. Ye, K Iizumi, A. Nomura, T. Sugawara, K. Obara, M. Tanaka, S. Kohiki, Y. Kawazoe, K. Nakajima and M. Oku

37. Moleten Metal Flux Growth and Properties of CrSi₂

    Journal of Alloys and Compounds 383 (2004) pp.319-321

    T. Shishido, S. Okada, Y. Ishizawa, K. Kudou, K Iizumi, Y. Sawada, H. Horiuchi, K. Inaba, T. Sekiguchi, J. Ye, S. Miyashita, A. Nomura, T. Sugawara, K. Obara, M. Oku, K. Fujiwara, T. Ujihara, G. Sazaki, N. Usami, S. Kohiki, Y. Kawazoe and K. Nakajima

38. Surface Structures of Cerium Oxide Nanocrystalline Particles from the Size Dependence of the Lattice Parameters

    Applied Physics Letters, 85[17] (2004) pp.3845-3847

    S. Tsunekawa, S. Ito and Y. Kawazoe

39. 電子構造研究のための多体論基盤

    固体物理, 39[11] (2004) pp.750-761

    安原 洋, 本郷 研太, 川添 良幸

40. Design of Wide-gap Fluoride Heterostructures for Deep Ultraviolet Optical Devices

    J. Appl. Phys., 96[12] (2004) pp.7655-7659

    Riadh El Ouenzerfi, Shingo Ono, Alex Quema, Masahiro Goto, Masahiro Sasaki, Nobuhiko Sarukura, Takeshi Nishimatsu, Noriaki Terakubo, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Hiroki Sato, Dirk Ehrentraut, Akira Yoshikawa and Tsuguo Fukuda

41. Energetics and local spin magnetic moment of single 3,4d impurities encapsulated in an icosahedral Au12 cage

    Phys. Rev. B, 70 (2004) pp.1654131-1654136

    Shan-Ying Wang, Jing-Zhi Yu, Hiroshi Mizuseki, Qiang Sun, Chong-Yu Wang and Yoshiyuki Kawazoe

42. Electronic Structures of the TTTA Molecular Crystal

    Transactions of the Materials Research Society of Japan, 29[8](2004) pp.3719-3722

    Miou Furuya, Kaoru Ohno, Jun Takeda and Yoshiyuki Kawazoe

43. Dielectric Function of (CdSe)₁₃ Clusters

    Transactions of the Materials Research Society of Japan, 29[8](2004) pp.3723-3725

    Yoshifumi Noguchi, Kaoru Ohno, Vijay Kumar, Yoshiyuki Kawazoe, Yurii Barnakov and Atsuo Kasuya

44. Dynamics on Electronic Excitation in Chemical Reaction

    Transactions of the Materials Research Society of Japan, 29[8](2004) pp.3727-3729

    Takahiro Sawada, Jian Wu, Yoshiyuki Kawazoe and Kaoru Ohno

45. Intermixing Tendencies in Garnets: Pyrope and Grossular

    Phys. Rev. B., 70[18] (2004) pp.1841201-1841204

    Marcel H. F. Sluiter, Victor Vinograd and Yoshiyuki Kawazoe

46. Nonicosahedral Growth and Magnetic Behavior of Rhodium Clusters

    Phys. Rev. B., 70[19] (2004) pp. 1954131-1954137

    Young-Cho Bae, Hiroki Osanai, Vijay Kumar and Yoshiyuki Kawazoe

47. Water Adsorption on Ti-doped Silicon Clusters

    Phys. Rev. B., 70[19] (2004) pp. 1934021-1934024

    Hiroaki Kawamura, Vijay Kumar and Yoshiyuki Kawazoe

Contact Address

Institute For Materials Research Tohoku University
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