Microstructure engineering of Pt-Al alloy thin films through Monte Carlo simulations

¹ Nanotechnology Innovation Centre, Advanced Materals Division, Mintek, Private Bag X3015, Johannesburg, 2125, South Africa .
² Department of Physics, University of the Free State, P.O. Box 339, Bloemfontein, 9300, South Africa.

^* Corresponding Author, E-mail: RichardH@mintek.co.za

Abstract

A kinetic algorithm, based on the regular solution model, was used in conjunction with the Monte Carlo method to simulate the evolution of a micro-scaled thin film system during exposure to a high temperature environment. Pt-Al thin films were prepared via electron beam physical vapor deposition (EB-PVD) with an atomic concentration ratio of Pt₆₃:Al₃₇. These films were heat treated at an annealing temperature of 400 °C for 16 and 49 minutes. Scanning Auger Microscopy (SAM) (PHI 700) was used to obtain elemental maps while sputtering through the thin films. Simulations were run for the same annealing temperatures and thin-film composition. From these simulations theoretical depth profiles and simulated microstructures were obtained. These were compared to the experimentally measured depth profiles and elemental maps.