Large-scale ab initio simulations of binary transition metal clusters for storage media materials.

摘要: In the quest for ultra-high-density magnetic recording, new materials in nanometre range have attracted much interest over last decade involving intense studies of L10 phases contemporary or future storage media like FePt CoPt nanoparticles. Based on large-scale density functional theory calculations, we provide a systematic overview structural and properties various morphologies nanoclusters with diameters up to 3 nm. this size range, ordered multiply twinned are energetically favoured desired layer type high magnetocrystalline anisotropy. Other nanoparticles interest, FePd, also show preference structures exhibit, as case MnPt nanoclusters, strong tendency antiferromagnetic ordering instead ferromagnetic order. The compositional trends can be traced back differences partial electronic states 3d element.