کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1800906 1024551 2010 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A first-principles study on the lower-valence coexisting Cr2TiX (X=Al, Ga, Si, Ge, Sn, Sb) Heusler alloys
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
A first-principles study on the lower-valence coexisting Cr2TiX (X=Al, Ga, Si, Ge, Sn, Sb) Heusler alloys
چکیده انگلیسی

The electronic, magnetic, and bonding properties of the Cr2TiX (X=Al, Ga, Si, Ge, Sn, Sb) Heusler alloys have been investigated using first-principles calculations. The results show that Cr2TiSb exhibits a half-metallic nature and Cr2TiGa and Cr2TiSn exhibit a nearly half-metallic nature. From analysis of the density of states and the electron density difference along the Ga→Sn→Sb series for sp atoms, we found that the Cr–Ti bond demonstrates covalent character with more or less the ionic and metallic nature. In addition, the Cr–Ti bonding strength increases along this series. All the compounds have a negative total magnetic moment, most of which are confined to the Cr atoms. There exists a 1.0μB increasing trend of the total moment along the III→IV→V main group for sp atoms, and only the total moment of Cr2TiSb coincides well with the Slater–Pauling behavior.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 322, Issue 1, January 2010, Pages 1–6
نویسندگان
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