کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5457577 1515821 2017 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First-principles investigation of magnetic properties and metamagnetic transition of NiCoMnZ(Z = In, Sn, Sb) Heusler alloys
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فلزات و آلیاژها
پیش نمایش صفحه اول مقاله
First-principles investigation of magnetic properties and metamagnetic transition of NiCoMnZ(Z = In, Sn, Sb) Heusler alloys
چکیده انگلیسی
We employed the density functional theory to investigate the structural, magnetic properties and metamagnetic transition on Mn and Co doped-Ni2MnZ (Z = In, Sn, Sb) Heusler alloys. The calculated formation energy indicates that excess Mn and Co prefer to occupy Z and Ni sites, respectively. The energy difference between austenite and martensite phases exhibits a monotonic increase with Mn doping, and a decrease with Co doping, which are consistent with the trend of experimental martensitic transformation temperature. The evaluated magnetic exchange parameters show a strong dependence on Z element, which can be explained by the super-exchange interaction mediated by Z sp states near the Fermi level. Bond analysis of martensite phase reveals that the strength of MnSb bond is stronger than that of MnIn and MnSn bond and it explains the larger driving magnetic field in NiMnSb than NiMnZ(Z = In, Sn) is need for metamagnetic phase transformation. In addition, we predict NiCoMnZ (Z = Sn, Sb) alloys require a smaller compressive epitaxial strain for metamagnetic transition than NiCoMnIn alloys.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Intermetallics - Volume 90, November 2017, Pages 140-146
نویسندگان
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