New minima for the Pt8 cluster

We present a study on the structural and electronic properties of the Pt-8 cluster by performing density functional theory calculations in the framework of spin-polarized generalized gradient approximation. The structures, binding energies, HOMO-LUMO gaps, and vibrational frequencies of various isomers are calculated and compared with previously reported structures. In the literature, there are a number of different configurations proposed as the lowest energy isomer without a consensus. In our calculations it has been found that the most stable configuration is a triple tetragonal pyramid in the triplet state which supports one of the earlier studies. We have also identified seven new low-lying local minima for the Pt-8 cluster. (c) 2013 Elsevier B.V. All rights reserved.