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Structural, magnetic properties, and electronic structure of hexagonal FeCoSn compound
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作者 李勇 代学芳 +7 位作者 刘国栋 魏志阳 刘恩克 韩小磊 杜志伟 郗学奎 王文洪 吴光恒 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第2期476-481,共6页
The structural, magnetic properties, and electronic structures of hexagonal Fe Co Sn compounds with as-annealed bulk and ribbon states were investigated by x-ray powder diffraction(XRD), differential scanning calori... The structural, magnetic properties, and electronic structures of hexagonal Fe Co Sn compounds with as-annealed bulk and ribbon states were investigated by x-ray powder diffraction(XRD), differential scanning calorimetry(DSC), transmission electron microscope(TEM), scanning electron microscope(SEM), magnetic measurements, and first-principles calculations. Results indicate that both states of FeCoSn show an Ni_2In-type hexagonal structure with a small amount of FeCo-rich secondary phase. The Curie temperatures are located at 257 K and 229 K, respectively. The corresponding magnetizations are 2.57 μB/f.u. and 2.94 μB/f.u. at 5 K with a field of 50 kOe(1 Oe = 79.5775 A·m^(-1)). The orbital hybridizations between 3 d elements are analyzed from the distribution of density of states(DOS), showing that Fe atoms carry the main magnetic moments and determine the electronic structure around Fermi level. A peak of DOS at Fermi level accounts for the presence of the FeCo-rich secondary phase. The Ni_2In-type hexagonal FeCoSn compound can be used during the isostructural alloying for tuning phase transitions. 展开更多
关键词 fecosn hexagonal structure first-principles calculations
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