CLUSTER MODEL STUDIES ON THE ELECTRONIC AND MAGNETIC-PROPERTIES OF LACO13 AND LA(FEXAL1-X)(13) ALLOYS

We present studies on both the electronic and magnetic properties of L aCo13 and La(FexAl1-x)(13) intermetallic compounds by cluster model ca lculations within the scheme of density-functional theory. The equilib rium structures of the isolated and embedded clusters, obtained by min imizing the total binding energy, are in good agreement with available experimental data and other theoretical results. The relative stabili ty and formation of LaCo13 and La(FexAl1-x)(13) phases have been succe ssfully explained. Interesting changes of magnetic properties in an Al doped Fe-13 cluster have been obtained. The possible effect of Al on the magnetic phase diagram of La(FexAl1-x)(13) is discussed.