کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
8163821 1525233 2013 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
First-principles study of point defects in solar cell semiconductor CuI
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
First-principles study of point defects in solar cell semiconductor CuI
چکیده انگلیسی
Hybrid density functional theory is used to study the formation energies and transition levels of point defects VCu, VI, ICu, CuI, and OI in CuI. It is shown that the Heyd-Scuseria-Ernzerhof (HSE06) method can accurately describe the band gap of bulk CuI. As a solar cell material, we find that p-type semiconductor CuI can be obtained under the iodine-rich and copper-poor conditions. Our results are in good agreement with experiment and provide an excellent account for tuning the structural and electronic properties of CuI.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 413, 15 March 2013, Pages 116-119
نویسندگان
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