کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1815779 | 1525262 | 2007 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Ab initio calculations of the electronic, linear and nonlinear optical properties of zinc chalcogenides
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
We report calculations of the electronic, linear and nonlinear optical properties of ZnX (X=S, Se, Te) compounds using the full potential linear augmented plane wave (FP-LAPW) method. We present results for the band structure, density of states, and imaginary part of the frequency-dependent linear and nonlinear optical response. Our calculations show that the energy band gap of these compounds decreases when S is replaced by Se and Se by Te. This can be attributed to the increase in the bandwidth of the conduction bands. Our calculated ε2(Ï) shows good agreement with the experimental data. We find that the intra- and inter-band contributions of the second harmonic generation increase when moving from S to Se to Te. The smaller energy band gap compounds have larger values of Ï123(2)(0) in agreement with the experimental measurements and other theoretical calculations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 388, Issues 1â2, 15 January 2007, Pages 34-42
Journal: Physica B: Condensed Matter - Volume 388, Issues 1â2, 15 January 2007, Pages 34-42
نویسندگان
Ali Hussain Reshak, Sushil Auluck,