First principles prediction of the metastability of the Ge2Mn phase and its synthesis pathways

In this letter, we performed first principles calculations to investigate the stability of a [100]-compatible Ge2Mn compound. Based on a thermodynamical approach, we propose and assess the C16 structure (Al2Cu prototype) to be only slightly metastable as compared to the other Ge–Mn compounds. The reported structural and magnetic properties of this Ge2Mn compound make it a potentially interesting compound for spintronic applications, all the more since a simple way to stabilize it as a bulk film is proposed.