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Abstract: Using the full potential linearized augmented plane wave method, we have investigated the effect of Fe adlayer and Co underlayer on the magnetic properties of Fe/FeCo/Cu(001) and Fe/FeCo/Co/Cu(001) systems. It is found that the magnetic layers display close to half metallic state and this is independent on Fe adlayer thickness or Co underlayer. The pure FeCo/Cu(001) has an in-plane magnetic anisotropy and the Co underlayer induces a perpendicular magnetic anisotropy. Besides, the spin reorientation transition is realized with increasing Fe adlayer thickness. Both Fe/FeCo/Cu(001) and Fe/FeCo/Co/Cu(001) systems manifest similar behavior although the strength of anisotropy energy is different. This result indicates that the Fe adlayer plays an important role for the magnetic anisotropy because the direction of magnetization is almost independent on the presence of Co underlayer, while the Co underlayer affects the magnitude of magnetic anisotropy energy. [Copyright &y& Elsevier]

Abstract: Using the full potential linearized augmented plane wave (FLAPW) method, we have investigated the adatom or vacancy defect induced magnetic properties of hexagonal boron nitride (h-BN) monolayer. It has been observed that the N vacancy defect has no influence on the magnetic property of h-BN, whereas the B vacancy defect caused spin polarization in the nearest three N atoms. The total magnetic moment is about 0.87μB within muffin-tin radius (0.29μB per N atom) and the spin polarized N atoms show metallic feature. In the presence of B adatom defect, we have obtained rather weak spin polarization about 0.1μB. However, the sizable magnetic moment of 0.38μB appears in N adatom defect. Both B and N adatom defect systems preserve very close to semiconducting feature with a finite band gap. We have found that the DOS and the XMCD spectral shapes are strongly dependent on the defect type existing in the h-BN monolayer and this finding may help reveal the origin of magnetism in the h-BN layer if one performs surface sensitive experiment such as spin polarized scanning tunneling microscopy or XMCD measurement in the near future. [ABSTRACT FROM AUTHOR]

Abstract: Using the full potential linearized augmented plane wave method (FLAPW), the magnetic properties of ultrathin Fe/Ni films grown on Cu(001) surface have been investigated. We have varied both Ni and Fe film thicknesses and also have explored the strain effect on the magnetic anisotropy. For surface Fe atom, a typical surface enhancement of spin magnetic moment has been observed while the magnetic moments of other constituents are rather insensitive to the strain effect. Nonetheless, we have realized that the direction of magnetization is significantly affected by the strain factor. For instance, the Fe/Ni films always have perpendicular magnetization provided that they are grown on Cu(001) lattice constant. However, we have obtained a spin reorientation transition (SRT) phenomenon in the presence of strain effect. [Copyright &y& Elsevier]