The Magnetization of fcc Con (100) and (111) surfaces with GGA and GGA+U

Yousif Shoaib Mohammed

The Spin polarization of fcc Con (100) and (111) surfaces is investigated with a first-principle calculation of the Density Functional Theory (DFT) ferromagnetic (FM) face-centered cubic (fcc) of Cobalt Con (100) and (111) surfaces for n = 3, 5 and 7 layers. The relaxed ion and and ion + volume, and non-relaxed electronic structures of the both surfaces are determined with generalized gradient approximation (GGA) and generalized gradient approximation + Hubbard (GGA+U). The observed trends can be explained as in earlier studies in terms of the hybridization between d states of Co substrate, also some interesting specific behavior of the magnetization in the fcc Co (100) and (111) surfaces with different layers has been observed.