کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9595071 | 1507966 | 2005 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Dynamics of excited electronic states at clean and adsorbate-covered insulator surfaces
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
We present an ab initio approach to electronic excitations of surface systems and to their dynamics. Based on a density-functional calculation for the electronic ground state, excitations are described by many-body perturbation theory, taking electronic correlation effects and electron-hole interaction into account. This approach yields highly reliable results for electronic spectra, optical excitations, and excited-state total energies. In addition, the femtosecond dynamics (like, e.g., charge-transfer processes) of excited states can be evaluated. As examples, we discuss surface excitons at the LiF(0Â 0Â 1)-(1Â ÃÂ 1) surface, as well as the initial decay of the first excited state of CO molecules due to adsorption of the molecules on the insulator surface MgO(0Â 0Â 1)-(1Â ÃÂ 1).
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 593, Issues 1â3, 20 November 2005, Pages 19-25
Journal: Surface Science - Volume 593, Issues 1â3, 20 November 2005, Pages 19-25
نویسندگان
Michael Rohlfing, Neng-Ping Wang, Peter Krüger, Johannes Pollmann,