Influence of Y substitutions on the magnetism of Gd5Ge4.

The interrelation between the specific crystallographic positions and their influence on the magnetism of neighboring atoms is examined from first principles electronic structure calculations using the Gd₅Ge₄ compound as a model system. The predicted preferences of the specific occupations by nonmagnetic yttrium atoms and the resulting magnetism of substituted Gd₅Ge₄ have been confirmed, respectively, by single crystal x-ray diffraction and magnetization experiments. [ABSTRACT FROM AUTHOR]