Berlin 2005 – scientific programme

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MA: Magnetismus

MA 20: Poster:Schichten(1-29),Spintrsp(30-45),Ex-Bias(46-63),Spindyn(64-75),Mikromat.(76-80),Cluster(81-94),Abbv.(95-99),Obflm(100-02),SpElek.(103-09),E-Theo(110-14),Mikromag.(115-16),Spin+PÜ(117-26),Mag.Mat.(127-51),Meth.(152-55),Mol.Mag(156-59),Kondo(160-65

MA 20.138: Poster

Monday, March 7, 2005, 14:00–18:00, Poster TU C

Calculated electronic structure of semiconducting Gd compounds with Half-Heusler and LiGaGe-structure — •Hem C. Kandpal, Gerhard H. Fecher, and Claudia Felser — Johannes Gutenberg - Universität, 55099 Mainz, Germany

We present spin polarized LSDA calculations of different semiconducting Gd-compounds with cubic Half-Heusler (C1_b, F 43m) or hexagonal LiGaGe (P 6₃mc) structure. Half Heusler compounds may be described by a partial filling (4b or 4d site) of the Zincblende structure with a third element and LiGaGe as Wurtzite structure with the origin (2a site) filled by a third element. Most of the investigated compounds follow the Slater-Pauling rule with the magnetic moment per unit cell scaling with the number of valence electrons. The f-electrons at Gadolinium sites are localized. Nearly all compounds are semicondutors or semimetals because of the total number of 18 valence electrons, remaining. The potential of these semiconducting materials for spininjection devices will be discussed.

(This work is funded by the DFG.)