Structural features and energetics of Zn{sub n-m}Cd{sub m} (n=7,8) microclusters and Zn{sub 50}, Cd{sub 50}, and Zn{sub 25}Cd{sub 25} nanoparticles: Molecular-dynamics simulations

Journal Article · Wed Oct 01 00:00:00 EDT 2003 · Physical Review. A

DOI:https://doi.org/10.1103/PhysRevA.68.043203· OSTI ID:20640349

Amirouche, Lynda ^[1]; Erkoc, Sakir ^[2]

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1. Theoretical Physics Laboratory, Faculty of Physical Sciences, USTHB, P.O. Box 32, El-Alia, Bab Ezzouar, Alger (Algeria)
2. Department of Physics, Middle East Technical University, 06531 Ankara (Turkey)

The structural features and energetics of Zn{sub n-m}Cd{sub m} (n=7,8) microclusters and Zn{sub 50}, Cd{sub 50}, and Zn{sub 25}Cd{sub 25} nanoparticles have been investigated by performing molecular-dynamics computer simulations using a recently developed empirical many-body potential-energy function. The most stable structures were found to be compact and three-dimensional for all elemental and mixed clusters. An interesting structural feature of the mixed clusters is that Zn and Cd atoms do not mix in mixed clusters; they come together almost without mixing.

• OSTI ID: 20640349
• Journal Information: Physical Review. A, Vol. 68, Issue 4; Other Information: DOI: 10.1103/PhysRevA.68.043203; (c) 2003 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
36 MATERIALS SCIENCE
ATOMIC CLUSTERS
ATOMS
CADMIUM
COMPUTERIZED SIMULATION
MANY-BODY PROBLEM
MIXING
MOLECULAR CLUSTERS
MOLECULAR DYNAMICS METHOD
NANOSTRUCTURES
POTENTIAL ENERGY
THREE-DIMENSIONAL CALCULATIONS
ZINC
ZINC COMPOUNDS