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On the Electronic Structure of Clusters. Convergence to the Solid State Properties
Author(s) -
Skála L.
Publication year - 1985
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221270217
Subject(s) - cluster (spacecraft) , electronic structure , convergence (economics) , relaxation (psychology) , enhanced data rates for gsm evolution , electronic band structure , chemistry , materials science , statistical physics , condensed matter physics , mathematics , chemical physics , physics , computer science , social psychology , telecommunications , economics , programming language , economic growth , psychology
The relation of the electronic structure of clusters and solids, the consequences of the surface relaxation, and the conclusions following from the analytic cluster model and numerical calculations are investigated. It is shown that the electronic properties of clusters converge with increasing number of atoms at least as quickly as 1/ N 1/d to zero, N being the total number of atoms and d the number of dimensions of the cluster ( d = 1, 2, 3). The binding energy is characterized by 1/ N 1/d convergence while the bandwidth, the lower band edge, and the bond order converge as the second power of this parameter.