Abstract

In this paper, the ground-state geometries and energies of AℓN(N⩽170) clusters have been investigated using the Gupta potential combined with the molecular dynamics simulation quenching method. The Gupta parameters have been fixed according to the experimental values of the cohesive energy and lattice parameters. For each minimum, the energy and point group (PG) have been obtained. Our optimized structures are in agreement with previous ones obtained using Murrell-Mottram potential as well as those obtained using the Glue potential. A simple relation between the ground state energy and the number of atoms has been proposed which can permit one to predict the ground state for any Aluminum cluster with a known number of atoms.

Full Text
Paper version not known

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.