کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
8162994 1525213 2014 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab initio calculation of structural, electronic and optical properties of Hg(IO3)2
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک ماده چگال
پیش نمایش صفحه اول مقاله
Ab initio calculation of structural, electronic and optical properties of Hg(IO3)2
چکیده انگلیسی
Full-potential linearized augmented plane wave calculations were performed for the Hg(IO3)2 compound in order to investigate the structural, electronic and optical properties. The calculated lattice constants, bulk modulus and first order pressure derivative of the bulk modulus are reported. The electronic structure indicate that Hg(IO3)2 has a direct band gap of 2.61 eV. The imaginary part of the dielectric functions is calculated and the contributions of various transitions peaks were analyzed. Furthermore, the other optical properties have been investigated.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica B: Condensed Matter - Volume 433, 15 January 2014, Pages 117-121
نویسندگان
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