کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1562645 999592 2010 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Study on the absorption spectra and electronic structures of the CsI crystal with cesium vacancy
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
Study on the absorption spectra and electronic structures of the CsI crystal with cesium vacancy
چکیده انگلیسی

The electronic structures and absorption spectra of the perfect CsI crystal and the CsI crystal containing Vcs1- have been calculated using CASTEP code with the lattice structure optimized. The calculated results indicate that the optical symmetry of CsI crystal coincides with the lattice structure geometry of CsI crystal. The perfect CsI crystal has no absorption band in the visible region. However, the absorption spectra of the CsI crystal containing Vcs1- exhibit two peaks at 2.21 and 3.00 eV in the visible and near-ultraviolet region, which are caused by Vcs1-.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 48, Issue 3, May 2010, Pages 658–661
نویسندگان
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