کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5496630 1399860 2017 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First-principles study on the thermodynamic stability, magnetism, and half-metallicity of full-Heusler alloy Ti2FeGe (001) surface
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
First-principles study on the thermodynamic stability, magnetism, and half-metallicity of full-Heusler alloy Ti2FeGe (001) surface
چکیده انگلیسی
For the Ti2FeGe Heusler alloy, the surface stability, electronic and magnetic properties of the various (001) surfaces have been studied by using first-principles calculations. The TiGe termination is the most stable one while the GeGe* termination is the most unstable one. Both the density of states (DOS) and atomic magnetic moments (AMMs) of the central layers are similar to the corresponding bulk characters due to no influence of surface effect as we expected. The TiGe termination has the highest spin polarization 96.67%, followed by the TiFe (67.17%), GeGe* (66.51%) and FeFe* terminations (62.02%). The TiTi* terminations has the lowest spin polarization 61.31%. The magnetic moments for atoms on the surfaces and subsurfaces of these terminations are different from the bulk case.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 381, Issue 18, 10 May 2017, Pages 1592-1597
نویسندگان
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