Study of small metallic nanoparticles: An ab-initio full-potential muffin-tin orbitals based molecular dynamics study of small Cu clusters
UNSPECIFIED. (2003) Study of small metallic nanoparticles: An ab-initio full-potential muffin-tin orbitals based molecular dynamics study of small Cu clusters. INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 17 (10). pp. 2061-2075. ISSN 0217-9792Full text not available from this repository.
The equilibrium structures and cohesive energies of small Cu-n clusters using the full-potential muffin-tin orbitals (FP-LMTO) based molecular dynamics (MD) have been studied for n less than or equal to 9. The results obtained have been compared with other chemical methods. We propose the FP-LMTO-MD technique to be a useful starting point of more empirical methods which can efficiently deals with larger cluster sizes relevant for nanoparticles.
|Item Type:||Journal Article|
|Subjects:||Q Science > QC Physics|
|Journal or Publication Title:||INTERNATIONAL JOURNAL OF MODERN PHYSICS B|
|Publisher:||WORLD SCIENTIFIC PUBL CO PTE LTD|
|Date:||20 April 2003|
|Number of Pages:||15|
|Page Range:||pp. 2061-2075|
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