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 13.112: Poster

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

Magnetic properties in chromium-chalcogenide systems — •Diana Benea¹, Hubert Ebert¹, Wolfgang Bensch², and Zhong-Le Huang² — ¹Chemistry Department, University of Munich, Butenandtstr. 5-13, D-81377 München, Germany — ²Institute for Inorganic Chemistry, Olshausenstr. 40, D-24098 Kiel, Germany

A theoretical investigation of magnetic properties of the systems Cr_1+x(Se,Te)₂ and (Cr,Ti)_1+xTe₂ is presented. The crystallographic structure of these compounds was refined in the space group P3m1 with four crystallographically different sites for both metal and chalcogen atoms. The chalcogen layers are fully occupied, whilst in the metal layer there are vacancies. The preferential occupation of the metal layers is discussed. The density of states (DOS) are calculated and the influence of the Cr/Ti content on the magnetic moments in the system is discussed. The magnetic behaviour of the systems has been investigated using the Korringa-Kohn-Rostoker (KKR) band structure method. The disorder in the system has been accounted for by means of the Coherent Potential Approximation (CPA).