Abstract
First-principles electronic structure calculations and the cluster variation method (CVM) are used to study phase stability for the three binary systems of the ternary RuZrNb system. The results are used to assess conflicting experimental data on the stability of the Ru 3Nb compound. The possibility of stabilizing the high-pressure phase (L1 2 structure) of Ru 3Nb by substitution of Zr for Nb and, further, the tetragonal distortion reported in Nb-rich alloys is evaluated in light of the electronic structure calculations.
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