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Density functional calculations on the structures of small zinc clusters

Title
Density functional calculations on the structures of small zinc clusters
Authors
Park S.Lee K.Lee C.
Ewha Authors
이공주복
SCOPUS Author ID
이공주복scopus
Issue Date
1999
Journal Title
Journal of the Korean Physical Society
ISSN
0374-4884JCR Link
Citation
vol. 34, no. 3, pp. 310 - 313
Indexed
SCI; SCIE; SCOPUS; KCI WOS scopus
Abstract
The geometries and the electronic structures of the small zinc clusters Zn 2-Zn 6 have been studied by the ab initio density-functional method with an ultrasoft pseudopotential. The ground state of Zn 2 is found to be stable with a bond length of 2.80 Å. Zn 4-Zn 6 clusters have larger dissociation energies per atom than Zn 2-Zn 3 clusters. The zinc clusters also show a tendency to prefer compact geometric structures.
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자연과학대학 > 물리학전공 > Journal papers
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