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• W3173242579 abstract "In this paper, we use the first-principles calculations based on the density functional theory to investigate structural, electronic and magnetic properties of Fe$_{2}$YSn with (Y = Mn, Ti and V). The generalized gradient approximation (GGA) method is used for calculations. The Cu$_{2}$MnAl type structure is energetically more stable than the Hg$_{2}$CuTi type structure. The negative formation energy is shown as the evidence of thermodynamic stability of the alloy. The calculated total spin moment is found as 3$mu_text{B}$ and 0$mu_text{B}$ at the equilibrium lattice constant for Fe$_{2}$MnSn and Fe$_{2}$TiSn respectively, which agrees with the Slater-Pauling rule of $M_t= Z_t-24$. The study of electronic and magnetic properties proves that Fe$_{2}$MnSn and Fe$_{2}$TiSn full-Heusler alloys are complete half-metallic ferromagnetic materials." @default.
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• W3173242579 date "2021-01-01" @default.
• W3173242579 modified "2023-09-30" @default.
• W3173242579 title "First-principles investigation of half-metallic ferromagnetism of Fe2YSn (Y = Mn, Ti and V) Heusler alloys" @default.
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• W3173242579 doi "https://doi.org/10.5488/cmp.24.23703" @default.
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