Electronic and Magnetic Properties of Ultrathin Fe−Co Alloy Nanowires

摘要: We have investigated the electronic structures and magnetic properties of free-standing Fe−Co nanowires by density functional theory (DFT) calculations using ultrasoft pseudopotential plane wave method. considered Fe(1-x)Cox with centered-staggered triangle square structures. The optimized lattice constants obtained total energy calculation are slightly longer than those experimental results variation moments Co concentration is similar to Slater-Pauling curve. spin-polarized states (DOS) Fe0.8Co0.2 nanowire reveals a nearly half-metallic character. found coercivity estimated chain-of-spheres model consistent for arrays fabricated in porous templates.