EQUIVALENCE OF THE SHELL STRUCTURE IN TIGHT-BINDING AND FREE-ELECTRON CLUSTERS

被引:15
作者
MANNINEN, M
MANSIKKAAHO, J
HAMMAREN, E
机构
[1] Department of Physics, University of Jyväskylä, Jyväskylä, SF
来源
EUROPHYSICS LETTERS | 1991年 / 15卷 / 04期
关键词
ATOMIC AND MOLECULAR CLUSTERS; ELECTRONIC DENSITY OF STATES DETERMINATIONS (INC ENERGY STATES OF; OF LIQUID SEMICONDUCTORS);
D O I
10.1209/0295-5075/15/4/010
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The electronic shell structure of small monovalent metal clusters has been studied in the free-electron model and in the Huckel model. The discretized free-electron Hamiltonian is shown to be equivalent to the Huckel Hamiltonian. Consequently the two models yield similar shell structures for the low-lying energy levels. The level structure depends on the shape of the cluster but not on the lattice structure of the Huckel model.
引用
收藏
页码:423 / 427
页数:5
相关论文
共 16 条
[1]   SYSTEMATIC ABINITIO CONFIGURATION-INTERACTION STUDY OF ALKALI-METAL CLUSTERS - RELATION BETWEEN ELECTRONIC-STRUCTURE AND GEOMETRY OF SMALL LI CLUSTERS [J].
BOUSTANI, I ;
PEWESTORF, W ;
FANTUCCI, P ;
BONACICKOUTECKY, V ;
KOUTECKY, J .
PHYSICAL REVIEW B, 1987, 35 (18) :9437-9450
[2]  
CHRISTENSEN OB, IN PRESS
[3]  
DEHEER WA, 1987, SOLID STATE PHYS, V40, P93
[5]   ELECTRONIC SHELL STRUCTURE AND ABUNDANCES OF SODIUM CLUSTERS [J].
KNIGHT, WD ;
CLEMENGER, K ;
DEHEER, WA ;
SAUNDERS, WA ;
CHOU, MY ;
COHEN, ML .
PHYSICAL REVIEW LETTERS, 1984, 52 (24) :2141-2143
[6]   THE HUCKEL MODEL FOR SMALL METAL-CLUSTERS .2. ORBITAL ENERGIES, SHELL STRUCTURES, IONIZATION-POTENTIALS, AND EXTRAPOLATION TO THE BULK LIMIT [J].
LINDSAY, DM ;
YOUQI, W ;
GEORGE, TF .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (06) :3500-3511
[7]   THE HUCKEL MODEL FOR SMALL METAL-CLUSTERS .3. ANION STRUCTURES AND HMO ELECTRON-AFFINITIES [J].
LINDSAY, DM ;
CHU, L ;
WANG, YQ ;
GEORGE, TF .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (03) :1685-1689
[8]  
LINDSAY DM, IN PRESSS
[9]   ELECTRONIC SHELL STRUCTURE AND THE CRYSTAL-FIELD SPLITTING IN SIMPLE METALS CLUSTERS [J].
MANNINEN, M ;
JENA, P .
EUROPHYSICS LETTERS, 1991, 14 (07) :643-648
[10]   OBSERVATION OF ELECTRONIC SHELLS AND SHELLS OF ATOMS IN LARGE NA CLUSTERS [J].
MARTIN, TP ;
BERGMANN, T ;
GOHLICH, H ;
LANGE, T .
CHEMICAL PHYSICS LETTERS, 1990, 172 (3-4) :209-213