کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10728785 | 1038110 | 2013 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electronic and optical properties of kesterite Cu2ZnSnS4 under in-plane biaxial strains: First-principles calculations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The electronic structures and optical properties of Cu2ZnSnS4 (CZTS) under in-plane biaxial strain were systematically investigated using first-principles calculations based on generalized gradient approximation and hybrid functional method, respectively. It is found that the fundamental bandgap at the Î point decreases linearly with increasing tensile biaxial strain perpendicular to c-axis. However, a bandgap maximum occurs as the compressive biaxial strain is 1.5%. Further increase of compressive strain decreases the bandgap. In addition, the optical properties of CZTS under biaxial strain are also calculated, and the variation trend of optical bandgap with biaxial strain is consistent with the fundamental bandgap.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 377, Issue 37, 8 November 2013, Pages 2398-2402
Journal: Physics Letters A - Volume 377, Issue 37, 8 November 2013, Pages 2398-2402
نویسندگان
Chun-Ran Li, Yong-Feng Li, Bin Yao, Gang Yang, Zhan-Hui Ding, Rui Deng, Lei Liu,