کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
502852 863727 2006 14 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Linear optical properties of solids within the full-potential linearized augmented planewave method
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Linear optical properties of solids within the full-potential linearized augmented planewave method
چکیده انگلیسی

We present a scheme for the calculation of linear optical properties by the all-electron full-potential linearized augmented planewave (LAPW) method. A summary of the theoretical background for the derivation of the dielectric tensor within the random-phase approximation is provided. The momentum matrix elements are evaluated in detail for the LAPW basis, and the interband as well as the intra-band contributions to the dielectric tensor are given. As an example the formalism is applied to Aluminum. The program is available as a module within the WIEN2k code.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 175, Issue 1, 1 July 2006, Pages 1–14
نویسندگان
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