کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5423600 | 1507954 | 2010 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Phase transition of Sr on Si (0Â 0Â 1): First principles prediction and experiment
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Phase transition of Sr on Si (0Â 0Â 1): First principles prediction and experiment Phase transition of Sr on Si (0Â 0Â 1): First principles prediction and experiment](/preview/png/5423600.png)
چکیده انگلیسی
The ability to understand and predict the phase diagrams of surface phases from first principles can be valuable for developing processes for growth of epitaxial structures. In the growth of epitaxial oxides on Si (0Â 0Â 1), a submonolayer phase of Sr plays a key role. The physical structure for this phase, which has 2Â ÃÂ 3 symmetry and occurs at 1/6 monolayer Sr coverage, was recently elucidated using both first principles theory and diffraction experiments [J.W. Reiner, K.F. Garrity, F.J. Walker, S. Ismail-Beigi, C.H. Ahn, Role of strontium in oxide epitaxy on silicon (0Â 0Â 1), Phys. Rev. Lett. 101 (10) (2008) 105503.]. Our approach to understanding the broader Sr/Si phase diagram combines density functional theory with a thermodynamic analysis of the phase equilibrium between a Sr lattice gas and the 2Â ÃÂ 3 structure. We use reflection high energy electron diffraction (RHEED) to experimentally determine the phase diagram, finding good agreement with theoretical predictions.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 604, Issues 9â10, 15 May 2010, Pages 857-861
Journal: Surface Science - Volume 604, Issues 9â10, 15 May 2010, Pages 857-861
نویسندگان
Kevin F. Garrity, Myrtle-Rose Padmore, Yaron Segal, J.W. Reiner, F.J. Walker, C.H. Ahn, S. Ismail-Beigi,