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We investigate the structural, electronic and magnetic properties of the fullHeusler compounds Mn$_2$YSn (Y = Mo, Nb, Zr) by first-principles densityfunctional theory using the generalized gradient approximation. It is foundthat the calculated lattice constants are in good agreement with thetheoretical values. We observe that the Cu$_2$MnAl-type structure is morestable than the Hg$_2$CuTi type. The calculated total magnetic moments ofMn$_2$NbSn and Mn$_2$ZrSn are 1 $\mu_{\text{B}}$ and 2 $\mu_{\text{B}}$ at theequilibrium lattice constant of 6.18 \AA and 6.31 \AA, respectively, for theCu$_2$MnAl-type structure. Mn$_2$MoSn have a metallic character in bothHg$_2$CuTi and Cu$_2$MnAl type structures. The total spin magnetic moment obeysthe Slater-Pauling rule. Half-metal exhibits 100% spin polarization at theFermi level. Thus, these alloys are promising magnetic candidates in spintronicdevices.

Prediction of electronic and half metallic properties of Mn$_2$YSn (Y = Mo, Nb, Zr) Heusler alloys