Regensburg 2004 – wissenschaftliches Programm

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MA: Magnetismus

MA 13: Poster:Schichten(1-23),Spinabh.Trsp(24-41),Exch.Bias(42-56),Spindyn.(57-67),Mikromag.(68-76),Partikel(77-90),Spinelektr.(91-97),Elektr.Theo.(98-99),Mikromag+PhasÜ+Aniso.(100-105),Magn.Mat.(106-118),Messmethod.(119-121),Obflm.+Abbverf.(122-123)

MA 13.99: Poster

Dienstag, 9. März 2004, 15:00–19:00, Bereich A

Magnetic anisotropy of transition metal compounds — •Ingo Opahle¹, Lutz Steinbeck², Denis Mertz¹, Manuel Richter¹, Michael D. Kuz’min³, Klaus Koepernik¹, and Helmut Eschrig¹ — ¹IFW Dresden, P.O.B. 270016, D-01171 Dresden, Germany — ²ZMD Dresden, Germany — ³Instituto de Ciencia de Materiales de Aragón, Zaragoza, Spain

Magnetocrystalline anisotropy properties of a number of transition metal compounds have been calculated in the framework of density functional theory in the local spin density approximation (LSDA). The results have been obtained using the highly accurate relativistic FPLO method and the relativistic optimized LCAO method. The influence of lattice geometry and orbital polarization, a correction to the LSDA taking into account Hund’s second rule, is discussed. Results are presented for CoPt, YCo₅ and related compounds as well as for R₂T₁₇N_x compounds. A critical comparison with experimental and theoretical data from the literature is given.