English

Does Spin-Orbit Coupling Effect Favor Planar Structures for Small Platinum Clusters?

Atomic and Molecular Clusters 2016-07-06 v1

Abstract

We have performed full-relativistic density functional theory calculations to study the geometry and binding energy of different isomers of free platinum clusters Ptn_{n} (n=46n=4-6) within the spin multiplicities from singlet to nonet. The spin-orbit coupling effect has been discussed for the minimum-energy structures, relative stabilities, vibrational frequencies, magnetic moments, and the highest occupied and lowest unoccupied molecular-orbital gaps. It is found in contrast to some of the previous calculations that 3-dimentional configurations are still lowest energy structures of these clusters, although spin-orbit effect makes some planar or quasi-planar geometries more stable than some other 3-dimentional isomers.

Keywords

Cite

@article{arxiv.0803.3694,
  title  = {Does Spin-Orbit Coupling Effect Favor Planar Structures for Small Platinum Clusters?},
  author = {Ali Sebetci},
  journal= {arXiv preprint arXiv:0803.3694},
  year   = {2016}
}
R2 v1 2026-06-21T10:24:33.428Z