کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5426375 1395889 2006 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ground-state properties of arsenic deposited on the Ge(0 0 1)(2 Ã— 1) surface
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Ground-state properties of arsenic deposited on the Ge(0 0 1)(2 Ã— 1) surface
چکیده انگلیسی

We present results of ab initio calculations of structural, electronic and vibrational properties of the Ge(0 0 1) surface covered with a monolayer of arsenic. The fully occupied πu bonding and πg antibonding electronic states due to the As-As dimer formation are quite close in energy and their ordering is same as that found on the Si(0 0 1) surface. Using our calculated atomic and electronic structures, surface lattice dynamics was studied by employing a linear response approach based on density functional perturbation theory. A comparison of the phonon spectrum of the Ge(0 0 1)/As(2 × 1) surface with that of the clean Ge(0 0 1)(2 × 1) surface indicates the presence of several new characteristic phonon modes due to adsorption of As atoms.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 600, Issue 18, 15 September 2006, Pages 3531-3535
نویسندگان
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