Cohesive energy of small metallic particles

The cohesive energy of sodium microparticles is calculated using the density functional formalism. The model particles are formed by a central atom surrounded by successive coordination shells of first neighbours, second neighbours, etc. Maxima in the cohesive energy per atom are obtained for partic...

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Bibliographic Details
Published inSolid state communications Vol. 50; no. 6; pp. 549 - 552
Main Authors Baladron, C., Iñiguez, M.P., Alonso, J.A.
Format Journal Article
LanguageEnglish
Published Oxford Elsevier Ltd 01.01.1984
Elsevier
Subjects
Condensed matter: structure, mechanical and thermal properties
Cross-disciplinary physics: materials science; rheology
Crystal binding; cohesive energy
Crystalline state (including molecular motions in solids)
Exact sciences and technology
Materials science
Metals, semimetals and alloys
Physics
Specific materials
Structure of solids and liquids; crystallography
Theoretical study
Metal
BCC crystals
Cohesive energy
Crystal chemistry
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Summary:The cohesive energy of sodium microparticles is calculated using the density functional formalism. The model particles are formed by a central atom surrounded by successive coordination shells of first neighbours, second neighbours, etc. Maxima in the cohesive energy per atom are obtained for particles with filled coordination shells. The sublimation energy is also studied. Insight is gained on the nature of “magic numbers” observed in the experimental size distribution.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:0038-1098
1879-2766
DOI:10.1016/0038-1098(84)90327-2