Ab initio calculations of elastic properties of Pt–Sc alloys

Elastic properties of substitutionally disordered Pt-rich Pt–Sc alloys and L12-ordered Pt3Sc compound are derived from the first-principles calculations based on the exact muffin-tin orbitals (EMTO) method. We demonstrate that these alloys should exhibit a ductile behavior, which combined with relatively high melting temperature and strong cohesive properties make them a very promising candidate for high-temperature applications.