Evidence for New Excess Electron Localization Sites in Na{sub {ital n}}F{sub {ital n}{minus}1 } Alkali-Halide Clusters
Journal Article
·
· Physical Review Letters
- Laboratoire de physique quantique (UMR 5626 CNRS-UPS), IRSAMC, Universite Paul Sabatier, 118 Route de Narbonne, F31062 Toulouse Cedex 4 (France)
- Laboratoire CAR (UMR 5589 CNRS-UPS), IRSAMC, Universite Paul Sabatier, 118 Route de Narbonne, F31062 Toulouse cedex 4 (France)
This Letter examines new types of localization sites for an excess electron in finite alkali-halide clusters resulting from defects on cuboidal structures, namely {open_quotes}edge states,{close_quotes} R center, and other surface defects. We present theoretical calculations on Na{sub n}F {sub n{minus}1} clusters with one excess electron. Comparisons with experimental results are presented for different cluster sizes (n=17 , 23, 28, and 29). Structures with edge or surface defects are relevant for n=23 , 28, and 29. {copyright} {ital 1997} {ital The American Physical Society}
- OSTI ID:
- 527055
- Journal Information:
- Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 4 Vol. 79; ISSN 0031-9007; ISSN PRLTAO
- Country of Publication:
- United States
- Language:
- English
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