Electronic and optical properties of free standing Pt nanowires using localized basis sets

Abstract

In this paper we have investigated structural, electronic and optical properties of free standing ultrathin NWs of Pt with different topologies using ab-initio SIESTA code. Dimer and ladder chains have found smallest and largest cohesive energy respectively. Electronic band structure and DOS calculations finds more bands and states respectively around Fermi level in ladder topology of Pt chains. It is found that linear and dimer chains act as a good reflector as compared to ladder and zig-zag topologies of Pt chains. Plasmonic frequency of zig-zag and ladder chains are found largest and smallest respectively. © 2012 American Institute of Physics.