Point-group regular representations and the densities of states in finite metal clusters

Point-group regular representations and the densities of states in finite metal clusters

Attention is drawn to the criterion that bulk behaviour in a finite cluster occurs when the regular representation of the structure point group dominates density-of-states data. The connection with space-group theory is pointed out and the degree to which this bulk criterion is met is examined for v...

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Veröffentlicht in:J. Chem. Soc., Faraday Trans. II Faraday Trans. II, 1984-01, Vol.80 (12), p.1507-1511
Hauptverfasser: QUINN, C. M, MCKIERNAN, J. G. R, REDMOND, D. B
Format: Artikel
Sprache:eng
Schlagworte:
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electron density of states and band structure of crystalline solids
Electron states
Exact sciences and technology
Physics
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Zusammenfassung:Attention is drawn to the criterion that bulk behaviour in a finite cluster occurs when the regular representation of the structure point group dominates density-of-states data. The connection with space-group theory is pointed out and the degree to which this bulk criterion is met is examined for various cubic clusters. 6 ref.--AA
ISSN:0300-9238
DOI:10.1039/F29848001507