Multiscale studies of complex magnetism of nanostructures based on first principles

András Antal (1) , Bence Lazarovits (2) , László Balogh (1) , Laszlo Udvardi (3) , László Szunyogh (4)

1 Department of Theoretical Physics
2 Research Institute for Solid State Physics and Optics [Budapest]
3 Department of Theoretical Physics
4 Department of Theoretical Physics

We present a first principles formulation that allows for deriving parameters of a classical spin-model. In particular, relativistic effects are included inducing tensorial exchange interactions and on-site anisotropy. Three applications of the method are shown: $(i)$ by using a mean field treatment of the spin-model we calculate the temperature dependence of the magnetic anisotropy energy of a Co$_3$Cu(001) film, $(ii)$ in terms of Monte Carlo simulations for an Fe$_2$/W(110) film we demonstrate the sensitivity of the magnetic ground state to the layer relaxations, and $(iii)$ we also investigate the magnetic ground state of an equilateral Cr trimer on top of a Au(111) surface. These examples clearly highlight the importance of the anisotropic exchange couplings and of the Dzyaloshinsky-Moriya interactions in studying and understanding the magnetism of nanostructures.

Mots clés: Physical Sciences

András Antal, Bence Lazarovits, László Balogh, Laszlo Udvardi, László Szunyogh. Multiscale studies of complex magnetism of nanostructures based on first principles. Philosophical Magazine, 2008, 88 (18-20), pp.2715-2724. ⟨10.1080/14786430802389213⟩. ⟨hal-00513956⟩