Structural features and energetics of Znn-mCdm (n=7,8) microclusters and Zn-50, Cd-50, and Zn25Cd25 nanoparticles: Molecular-dynamics simulations


Amirouche L., Erkoc S.

PHYSICAL REVIEW A, cilt.68, 2003 (SCI İndekslerine Giren Dergi) identifier identifier

Özet

The structural features and energetics of Znn-mCdm (n = 7,8) microclusters and Zn-50, Cd-50, and Zn25Cd25 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.