Pressure effect on the order–disorder transformation in L1(0) FeNi

The ordered phase of the FeNi system is known for its promising magnetic properties that make it a first-class rare-earth free permanent magnet. Mapping out the parameter space controlling the order–disorder transformation is an important step towards finding growth conditions that stabilize the [Formula: see text] phase of FeNi. In this work, we study the magnetic properties and chemical order-disorder transformation in FeNi as a function of lattice expansion by utilizing ab initio alloy theory. The largest volume expansion considered here is 29% which corresponds to a pressure of [Formula: see text] GPa. The thermodynamic and magnetic calculations are formulated in terms of a long-range order parameter, which is subsequently used to find the ordering temperature as a function of pressure. We show that negative pressure promotes ordering, meaning that synthetic routes involving an increase of the volume of FeNi are expected to expand the stability field of the [Formula: see text] phase.