Atomic Structure and Magnetism of an Alloy Surface: PtNi(001).

초록

In recent years, the physical properties of magnetic alloy surfaces have received much attention. The composition and atomic structure at alloy surfaces may be different from those in bulk. The differences would led different physical properties including magnetism at the surfaces from those in the bulk. In this study we calculated the atomic structure, electronic properties, and magnetism of PtNi(001) surface, using full-potential linearized augmented plane wave(FLAPW) [1] method with GGA. 1. E. Wimmer, H. Krakauer, M. Weinert, and A. J. Freeman, Phys. Rev. B 24, 864 (1981) and references therein.