Structural and elastic properties of binary FCC Pt-Rh alloys – a first-principles study

Abstract

Alloying Pt with Rh significantly enhances the high temperature stress rupture strength and maintains both oxidation and corrosion resistance at elevated temperatures. Such unique property combination renders Pt-Rh alloys mainstay in space technology, glass and chemical industries. However, the exponential increase in the price of Rh in the past few years stirs an industrial concern. As a result, some industries are beginning to search for alternative alloys that can offer similar properties. This study conducted first-principles calculations to generate structural and elasticity data on binary Pt-Rh alloys using both supercell and virtual crystal approximation (VCA) approaches, to serve as a benchmark for new alternative Pt-based alloys.