Stability and observability of charged beryllium clusters

Electronic structure studies on neutral, singly and doubly charged Be sub n clusters (n < = 5) have been carried out within the local spin-density formalism. The results on their equilibrium geometries and atomization energies are presented and the stability of charged clusters discussed. An exte...

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Bibliographic Details
Published in:Physical review letters 1988-08, Vol.61 (5), p.535-538
Main Authors: KHANNA, S. N, REUSE, F, BUTTET, J
Format: Article
Language:English
Subjects:
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Cross-disciplinary physics: materials science
rheology
Electron states
Exact sciences and technology
Materials science
Metals, semimetals and alloys
Physics
Specific materials
Theories and models of many electron systems
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Summary:Electronic structure studies on neutral, singly and doubly charged Be sub n clusters (n < = 5) have been carried out within the local spin-density formalism. The results on their equilibrium geometries and atomization energies are presented and the stability of charged clusters discussed. An extensive study of the Born--Oppenheimer surface of beryllium trimers is given, and it is shown that small doubly charged clusters may exist in metastable states protected from dissociation by large energy barriers. The possibility of creating them by one- or two-step ionization processes critically depends on their geometries. The issue of charge localization in doubly charged clusters is also addressed. 19 ref.--AA
ISSN:0031-9007
1079-7114
DOI:10.1103/physrevlett.61.535