Size, electronic and magnetic effects on the deviation of Retgers’ law in binary FCC alloys

The volume of solid solutions mostly deviates from Retgers’ law, namely linearity of volume with respect to composition. Fundamental knowledge is demanded to reveal the regularity behind. In this work, we obtained the molar volume of a series of TM-Co and TM-Ni (TM ​= ​Transition Metals, including V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, Au) binary face-centered cubic (FCC) alloys by using first-principles calculations and CALPHAD modeling, and then compared to Retgers’ law. Results show that deviations from Retgers’ law exist for many systems, which can be caused by a range of factors from geometrical, to electronic, and magnetic parameters. The effects of these factors on the deviation from Retgers’ law were clarified. This work provides comprehensive understanding to the deviation of volume from Retgers’ law in the systems of binary FCC alloys.