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We investigate the structural, electronic and magnetic properties of the full Heusler compounds Mn2YSn (Y=Mo, Nb, Zr) by first-principles density functional theory using the generalized gradient approximation. It is found that the calculated lattice constants are in good agreement with the theoretical values. We observe that the Cu2MnAl-type structure is more stable than the Hg2CuTi type. The calculated total magnetic moments of Mn2NbSn and Mn2ZrSn are 1/n; and 2/n; at the equilibrium lattice constant of 6.18 and 6.31, respectively, for the Cu2MnAl-type structure. Mn2MoSn have a metallic character in both Hg2CuTi and Cu2MnAl type structures. Thetotal spin magneticmoment obeys the Slater-Pauling rule. Half-metal exhibits 100% spin polarization at the Fermi level. Thus, these alloys are promising magnetic candidates in spintronic devices. [ABSTRACT FROM AUTHOR]

In this paper, the structural, electronic and magnetic properties of the GdSn3, CmSn3 and GdxCm1-xSn3 compounds (x = 0:25, 0:5 and 0:75) were studied using the full-potential linearized augmented plane wave method, within the generalized gradient approximation+U. The ground-state properties are determined for the bulk materials GdSn3, CmSn3 and GdxCm1-xSn3 crystallized in AuCu3-type structure. The calculated structural, electronic and magnetic properties of GdSn3 compound are in good agreement with the existing experimental and theoretical data. It is found that the most stable magnetic con1gurations of both compounds CmSn3 and GdSn3 are anti-ferromagnetic type A (AFM-A) and have a metallic behavior. The magnetic moment found decreases with increasing the Cm composition in GdxCm1-xSn3 compounds. The results show that the GdSn3, CmSn3 and GdxCm1-xSn3 compounds share some properties, and may well be useful for spintronic applications. [ABSTRACT FROM AUTHOR]