کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
8148624 | 1524340 | 2018 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Mn induced 1â¯Ãâ¯2 reconstruction in the Ï-MnAl(0â¯0â¯1) surface
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We report on first principles total energy calculations to describe the structural, electronic and magnetic properties of MnAl(0â¯0â¯1) surfaces. We have concentrated in structural models having 1â¯Ãâ¯1 and 1â¯Ãâ¯2 periodicities, since recent experiments of the similar MnGa(0â¯0â¯1) surface have found 1â¯Ãâ¯1 and 1â¯Ãâ¯2 reconstructions. Our calculations show the existence of two stable structures for different ranges of chemical potential. A 1â¯Ãâ¯1 surface is stable for Al-rich conditions, whereas a Mn-induced 1â¯Ãâ¯2 reconstruction appears after increasing the Mn chemical potential up to Mn-rich conditions. It is important to notice that experimentally, Mn rich conditions are important for improved magnetic properties. The Mn layers in both structures have ferromagnetic arrangements, but they are aligned antiferromagnetically with the almost no magnetic Al atoms. Moreover, the on top Mn atoms, which produce the 1â¯Ãâ¯2 reconstruction, align antiferromagnetically with the second layer Mn atoms. These findings are similar to those obtained experimentally in MnGa thin films grown by molecular beam epitaxy. Therefore, this method could also be used to grow the proposed MnAl films.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Crystal Growth - Volume 489, 1 May 2018, Pages 24-30
Journal: Journal of Crystal Growth - Volume 489, 1 May 2018, Pages 24-30
نویسندگان
J. Guerrero-Sánchez, Noboru Takeuchi,