Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10136949 | Results in Physics | 2018 | 24 Pages |
Abstract
We have investigated the structural, thermodynamic, electronic and magnetic properties of Sr3Sn1âxYxO (Yâ¯=â¯V, Fe) for xâ¯=â¯0, 0.25, 0.5 by using first-principles method within density functional theory (DFT). The calculated enthalpy formation in V and Fe substituted Sr3SnO (SSO) indicates the stable creation of the studied alloys. The substitution of Fe and V in SSO turn it into metallic due to the partially filled 3d-V/Fe orbitals. This also turn SSO into ferromagnetic alloys. Furthermore, the calculated spin-polarization 85.56% in Fe-substituted (for xâ¯=â¯0.25) SSO indicates that this alloys have the potential in spintronic applications with the substitution of suitable amount of transition metals.
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Authors
Enamul Haque, M. Anwar Hossain,