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
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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: Linear optical properties of solids within the full-potential linearized augmented planewave method Linear optical properties of solids within the full-potential linearized augmented planewave method](/preview/png/502852.png)
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
Journal: Computer Physics Communications - Volume 175, Issue 1, 1 July 2006, Pages 1–14
نویسندگان
Claudia Ambrosch-Draxl, Jorge O. Sofo,