Structural and magnetic properties of ternary Fe1– xMnxPt nanoalloys from first principles

摘要

Background: Structural and magnetic properties of binary Mn–Pt and ternary Fe1–xMnxPt nanoparticles in the size range of up to 2.5 nm (561 atoms) have been explored systematically by means of large scale first principles calculations in the framework of density functional theory. For each composition several magnetic and structural configurations have been compared.