کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10141905 | 1646085 | 2018 | 14 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Convergence study of the ab-initio calculated quadratic magneto-optical spectra in bcc Fe
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
مواد الکترونیکی، نوری و مغناطیسی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Using the WIEN2k code, we perform ab-initio calculations of the electronic structure and the permittivity tensor of bcc Fe with magnetization along the [001] and [011] directions. The electronic structure is calculated with various numbers of k-points in the full Brillouin zone and the convergence of the calculated data is being studied. Two exchange-correlation potentials are employed, namely LDA and GGA, and their effect on the outcoming spectra is shown. The permittivity tensor is obtained from the electronic structure by the Kubo formula. From the permittivity tensor the complex spectra of linear (K) and quadratic (Gs, 2G44) magneto-optical parameters are extracted. The spectra are compared to the literature.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Photonics and Nanostructures - Fundamentals and Applications - Volume 32, December 2018, Pages 24-27
Journal: Photonics and Nanostructures - Fundamentals and Applications - Volume 32, December 2018, Pages 24-27
نویسندگان
OndÅej Stejskal, Robin Silber, JaromÃr PiÅ¡tora, Jaroslav Hamrle,