Electron localization in alkali-halide clusters

Electron localization in alkali-halide clusters

The quantum path-integral molecular-dynamics method was applied to explore the structure, energetics, and dynamics of an excess electron interacting with an alkali-halide cluster. Four distinct modes of electron localization were established, which depend on the cluster composition, size, and struct...

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Veröffentlicht in:Phys. Rev. Lett.; (United States) 1985-04, Vol.54 (16), p.1860-1863
Hauptverfasser: LANDMAN, U, SCHARF, D, JORTNER, J
Format: Artikel
Sprache:eng
Schlagworte:
656000 - Condensed Matter Physics
AGGLOMERATION
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Condensed matter: electronic structure, electrical, magnetic, and optical properties
DYNAMICS
Electron states
Electronic structure of disordered solids
ENERGY LEVELS
Exact sciences and technology
FEYNMAN PATH INTEGRAL
INTEGRALS
MECHANICS
MOLECULES
PHASE STUDIES
Physics
SOLIDS
Theories and models
localized states
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Beschreibung
Zusammenfassung:The quantum path-integral molecular-dynamics method was applied to explore the structure, energetics, and dynamics of an excess electron interacting with an alkali-halide cluster. Four distinct modes of electron localization were established, which depend on the cluster composition, size, and structure; they involve an internal F-defect, an external surface state, dissociative detachment of an alkali atom, and structural isometrization induced by electron attachment.
ISSN:0031-9007
1079-7114
DOI:10.1103/PhysRevLett.54.1860