کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1803422 1024617 2009 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structure and magnetism in Mn-doped zirconia: Density-functional theory studies
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Structure and magnetism in Mn-doped zirconia: Density-functional theory studies
چکیده انگلیسی

Using the first-principles density-functional theory plane-wave pseudopotential method, we investigate the structure and magnetism in 25% Mn substitutive- and interstitial-doped monoclinic, tetragonal, and cubic ZrO2 systematically. Our studies show that the introduction of Mn impurities into ZrO2 not only stabilizes the high-temperature phase, but also endows ZrO2 with magnetism. Based on a simple crystal field model, we discuss the origination of magnetism in Mn-doped ZrO2. Finally, we discuss the effect of electron donor on the magnetism.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Magnetism and Magnetic Materials - Volume 321, Issue 15, August 2009, Pages 2354–2358
نویسندگان
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