Microclusters: Proceedings of the First NEC Symposium, Hakone and Kawasaki, Japan, October 20–23, 1986 (Springer Series in Materials Science, 4)

299 Pages·2012·28.82 MB·English

by  Satoru Sugano (editor), Yuichiro Nishina (editor), Shuhei Ohnishi (editor)

In
Springer Sen'es Materials Science 4
Spnnger Sen'es In Materials Science
Editors: Aaram Mooradian Morton B. Panish
Volume 1 Chemical Processing with Lasers
By D. Bauerle
Volume 2 Laser-Beam Interactions with Materials
Physical Principles and Applications
By M. von Allmen
Volume 3 Laser Processing of Thin Films and Microstructures
Oxidation, Deposition and Etching of Insulators
By I. W. Boyd
Volume 4 Microclusters
Editors: S. Sugano, Y. Nishina, and S. Ohnishi
Microclusters
Proceedings of the First NEC Symposium,
Hakone and Kawasaki, Japan, October 20-23, 1986
Editors: S. Sugano,
Y Nishina, and S. Ohnishi
With 187 Figures
Springer-Verlag Berlin Heidelberg New York
London Paris Tokyo
Professor Dr. Satoru Sugano
Institute for Solid State Physics, The University of Tokyo,
7-22-1 Roppongi, Minato-ku, Tokyo 106, Japan
Professor Dr. Yuichiro Nishina
The Research Institute of Iron, Steel and Other Metals,
Tohoku University, Katahira, Sendai 980, Japan
Dr. Shuhei Ohnishi
Fundamental Research Labs., NEC Corp., 1-1 Miyazaki 4,
Miyamae-ku, Kawasaki, Kanagawa 213, Japan
Se,ries Editors:
Dr. Aaram Mooradian
Leader of the Quantum Electronics Group, MIT,
Lincoln Laboratory, P.O. Box 73, Lexington, MA 02173, USA
Dr. Morton B. Panish
AT&T Bell Laboratories, 600 Mountain Avenue, Murray Hill, NJ 07974, USA
ISBN-13: 978-3-642-83066-2 e -ISBN-13:978-3-642-83064-8
DOl: 10.1007/978-3-642-83064-8
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© Springer-Verlag Berlin Heidelberg 1987
Softcover reprint of the hardcover 1st edition 1987
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Preface
This volume contains the proceedings of the first in a series of biennial NEC
Symposia on Fundamental Approaches to New Material Phases sponsored
by the NEC Corporation, Tokyo, Japan. The symposium was held Octo
ber 20-22, 1986, at Hakone Kanko Hotel in Hakone near Mt. Fuji, and on
October 23 at NEC Laboratories in Kawasaki, Japan. About 40 partic
ipants stayed together at the symposium sites during this period. They
enjoyed intense and wide-ranging discussions in a conference room facing
Mt. Fuji and the beautiful lake Ashinoko extending from the foot of the
slope in the old crater.
The title of the volume, Microclusters, means microscopic aggregates
consisting of a few tens through a few hundreds of atoms. Microclusters,
which are too big to be described as inorganic molecules but too small
to have translational symmetry, are expected to show exotic properties
which can be found in neither molecules nor solids. In the past few years
the research field of microclusters has shown rapid and epoch-making de
velopment. This is partly due to rapid development of the experimental
techniques which have enabled the production of relatively dense, non
interacting microclusters of various sizes in the form of cluster beams, thus
allowing measurement of the properties of a free microcluster of a given
size. The progress in the field is also due to rapid development of comput
ers and computational techniques which have made it possible to perform
ab initio calculations of the atomic and electronic structure of smaller mi
croclusters, as well as to carry out computer simulations of their dynamics.
This volume deals with these experimental and theoretical developments.
The microclusters discussed here are those consisting of atoms of metallic,
semiconducting, and insulating materials. Their electronic and structural
properties are also compared with nuclear properties, since both micro
clusters and nuclei are small many-body systems. A similarity to nuclei is
clearly seen in the application of the shell model to metal clusters. Some
of the papers here suggest the need for new concepts of melting and phase
transitions for small many-body systems represented by microclusters.
The editors are indebted to the following members of the Steering
Committee of the NEC Symposium for establishing the symposium and
v
choosing microclusters as the key subject of the first symposium: Dr. M.
Uenohara, Executive Vice President of NEC Corporation; Dr. D. Shinoda,
Vice President of NEC Corporation; Dr. H. Kamimura, Professor of the
University of Tokyo; Dr. T. Shinjo, Professor of Kyoto University; and Dr.
A. Yoshimori, Professor of Osaka University. The editors are also indebted
to the following advisory members of the Organizing Committee of the
first NEC Symposium for their valuable advice: Dr. R. Kubo, Professor
of Keio University, and Dr. R. Uyeda, Professor Emeritus of Nagoya
University. The editors thank the following members of the Organizing
Committee for organizing the first NEC Symposium and for contributing
to this volume: Professor K. Terakura, Professor M. Tsukada, Dr. S.
Iijima, Dr. C. Satoko, Dr. N. Hamada, and Dr. A. Oshiyama. Finally,
sincere thanks should be expressed to all the participants and those who
helped us through their kind cooperation.
Tokyo, Japan S. Sugano
January 1, 1987 Y. Nishina
S. Ohnishi
VI
Contents
Part I Shell Model
Shell Structure in Clusters. By M.L. Cohen (With 4 Figures) 2
SIMS Experiments on Metal Cluster Ions
By I. Katakuse (With 6 Figures) ... . .... . ............... 10
Stability of Alkali Metal Clusters
By Y. Ishii and S. Sugano (With 4 Figures) 17
Part II Electronic Structure
Electron Correlations and Chemical Bonding in Aggregates - a
Simplified Approach. By J. Friedel (With 4 Figures) ... . ..... 26
Phenomenological and Microscopic Theories of Structure
By D.G. Pettifor (With 4 Figures) ................ . ...... 37
Electronic Structure of Microclusters
By P. Jena, S.N. Khanna, and B.K. Rao (With 5 Figures) 47
Electronic Structure of Small Clusters
By K.H. Bennemann and G. Pastor (With 6 Figures) ......... 54
Electronic Structure, Cohesion, and Effective Interatomic
Potentials in Small Transition Metal Particles
By D.E. Ellis and H.P. Cheng (With 5 Figures) ....... . ..... 63
Force Calculation in Density Functional and Muffin-Tin Orbital
Framework. By T. Fujiwara and Y. Ishii .................. 70
The Electronic Structure of Transition Metal Clusters
By H. Tatewaki, M. Tomonari, T. Nakamura, and E. Miyoshi
(With 2 Figures) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76
Theoretical Study of the Electronic Structure of CO Adsorbed on
Small Cu Clusters. By K. Tanaka, Y. Mochizuki, T. Kawaguchi,
K. Ohno, and H. Tatewaki (With 3 Figures) . . . . . . . . . . . . . . . . 82
VII
Part III New Experiments
Optical and Dynamical Properties of Metal Clusters
By M. Broyer, G. Delacretaz, P. Fayet, P. Labastie,
W.A. Saunders, J.P. Wolf, and 1. Waste (With 7 Figures) 88
Molecular Surfaces: Chemistry and Physics of Gas Phase Clusters
By A.P. Kaldor, D.M. Cox, and M.R. Zakin (With 2 Figures) 96
Multiphoton Ionization of Sodium Halide Clusters
By K. Sattler (With 4 Figures) ......................... 107
Dynamical Aspects of Molecular Clusters Studied by Multiphoton
Ionization Technique
By Y. Achiba, K. Sato, and K. Kimura (With 5 Figures) ...... 115
Production of Metal Clusters by Nozzle Beam Expansion and
Analysis by TOF Mass Spectrometry
By Y. Saito (With 6 Figures) .......................... 121
Size Dependence of Photoluminescence in CdSe Clusters
By T. Arai and K. Asai (With 6 Figures) .. . . . . . . . . . . . . . . .. 127
Part IV Dynamical Processes
Equilibrium Structures and Dynamical Processes in Microclusters
By R. Car, M. Parrinello, and W. Andreoni (With 5 Figures) ... 134
Many Body Effects on Static and Dynamical Properties of Si, C,
and K Microclusters. By C. Satoko (With 11 Figures) ........ 142
Total Energy Surfaces: (S8)n. By T.P. Martin, T. Bergmann,
and B. Wassermann (With 9 Figures) .................... 152
Theoretical Study on Photodissociation Processes of Lithium Metal
Microclusters. By O. Sugino and H. Kamimura (With 6 Figures) 161
Ionization of Clusters in Collision with High-Rydberg Excited Rare
Gas Atoms. By T. Kondow (With 8 Figures) ............... 167
Theory of Electron Attachment of Van der Waals Microclusters
By M. Tsukada, N. Shima, S. Tsuneyuki, and H. Kageshima
(With 4 Figures) .. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. 174
Time Evolution of Electronic States in Microclusters
By N. Hamada (With 5 Figures) ........................ 180
VIII
Part V Structural Fluctuations
Some Experiments on Structural Instability of Small Particles of
Metals. By S. Iijima (With 13 Figures) ................... 186
Melting and Freezing of Microclusters from Analytics and
Simulations. By R.S. Berry (With 6 Figures) ............... 200
Dynamics of Transition-Metal Clusters
By S. Sawada (With 7 Figures) ......................... 211
Part VI Larger Microclusters
Energy-Level Statistics of Metal Particles
By S. Tanaka (With 2 Figures) ......................... 220
Cluster Reaction from the Viewpoint of Nuclear Reaction
By S. Sugano (With 1 Figure) .......................... 226
Stability of a Charged Small Particle Against Surface Shape
Fluctuations. By A. Tamura (With 3 Figures) .............. 232
Part VII Semiconductor Clusters
Production and Photofragmentation of Semiconductor Clusters
and Cluster Ions. By L.A. Bloomfield, M.E. Geusic, T.J. McIlrath,
M.F. Jarrold, R.R. Freeman, and W.L. Brown (With 11 Figures) 238
Dynamical Characteristics of Laser Vaporization Process in Group
IV Elements
By A. Kasuya and Y. Nishina (With 4 Figures) ............. 249
Localized Orbital Approach to Carbon Clusters
By K. Terakura, T. Hoshino, and T. Asada (With 4 Figures) 257
Electronic and Structural Theory of Group-IV Microclusters
By S. Saito and S. Ohnishi (With 5 Figures) ............... 263
Effects of Electrostatic Field on the Electronic Structure of
Microclusters. By S. Ohnishi and Y. Chiba (With 5 Figures) 269
Quantum Box: Gallium Arsenide Microclusters Embedded in
Aluminum Arsenide. By A. Oshiyama (With 1 Figure) ........ 275
Electronic Structure of the Superatom
By T. Inoshita and H. Watanabe (With 4 Figures) ........... 281
Index of Contributors . . . . . . . . . . . . . . . . . . . . . . . . . .. 287
Picture of Participants . . . . . . . . . . . . . . . . . . . . . . . . .. 288
IX