Ab initio calculations of elastic properties of Pt-Sc alloys

Authors :: Razumovskiy, V.I.
Isaev, Eyvas
Ruban, A.V.
Korzhavyi, P.A.
Razumovskiy, V.I.
Isaev, Eyvas
Ruban, A.V.
Korzhavyi, P.A.
Publication Year :: 2008
Abstract: 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. © 2008 Elsevier Ltd. All rights reserved.