Structural, Electronic, and Mechanical Properties of D0c Ru-Based Intermetallic Alloys: An Ab-Initio Study

First-principles study of stability and electronic properties of B2 X–Ru alloys for high-temperature structural applications

“…While the Ru-based transition metal alloys can possibly crystallize in various crystallographic phases, including D0c, tP16, A15, B2, and L1 2 , only their properties in A15, 16,17,21 D0c 22 and tP16 23,24 have been explored so far. Therefore, there is a need to understand their behavior across all known stable phases to discover novel materials for high-temperature structural applications.…”