Berlin 2005 – wissenschaftliches Programm

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HL: Halbleiterphysik

HL 17: Poster Ib

HL 17.3: Poster

Freitag, 4. März 2005, 16:30–19:00, Poster TU F

Quadrupole Interaction in Some Spinel Type Ternary Semiconductors — •Veaceslav Samokhvalov¹, Jens Kortus², Frank Schneider³, and Sepp Unterricker³ — ¹AMD Dresden — ²MPI für Festkörperforschung Stuttgart — ³Institut für Angewandte Physik, TU Bergakademie Freiberg, D-09596 Freiberg

An extended group of ternary semiconductors AB₂C₄ (e.g. CdCr₂Se₄ , CdIn₂S₄ , ZnAl₂S₄ ) crystallize in the lattice of normal spinel. At the B- and C-sites large electric field gradients (efg) exist. Such efg can be calculated by modern ab-initio methods like the WIEN97 code. A comparison between experiment and theory can judge the quality of calculated charge density distributions. With the PAC-method efg with impurity probes can be determined also. By the calculation of such systems beside accurate anion parameters u the relaxation of the neighbours has to be taken into account. This requires a unit cell of 56 atoms at least.