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We present the results of ab imitio study of electronic and magnetic properties of Gd(In1-x Sn-x)(3) alloys carried out with the use of FP-LAPW method. Our precise ab imitio calculations for the first time uniquelly confirmed experimentally based predictions that the ground state magnetic structure of the alloys is antiferromagnetic and that upon the In/Sn substitution the magnetic structure undergo transition, changing the antiferromagnetic ordering from the (pi 00)-type for the GdSn3 compound to the (pi pi 0)-type for the GdIn3 one. Moreover, calculations gave an explanation of the oscillatory variation of density of states at Fermi level indicated by XPS measurements.

Effect of Alloying on Magnetism and Electronic Structure of Gd(In1-xSnx)3System - ab initio Study

Effect of Alloying on Magnetism and Electronic Structure of Gd(In_1-xSn_x)₃System - ab initio Study