“…Although data on these material systems in the B2 phase is limited in the literature, previous studies have shown that the two-phase BCC + B2 microstructure possesses microstructural similarities to gÀg 0 Ni-based super-alloys. [25][26][27][28][29][30][31][32][33] Moreover, a comprehensive investigation by Chauhan et al 34 into the properties of nitrides of transition metals (TMs) belonging to the 4B group (TiN, ZrN, and HfN) in both the initial NaCl-B1 and the high-pressure CsCl-B2 phases indicates that these materials maintain mechanical stability in both the B1 and B2 phases under standard conditions and elevated pressures. In the current study, we specifically study the thermodynamic, mechanical and dynamical stabilities as well as the electronic properties of B2 X-Ru (X = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu and Zn) alloys under zero-pressure conditions.…”