کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1562594 999591 2010 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structural identification, electronic and optical properties of ZnSnO3: First principle calculations
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
Structural identification, electronic and optical properties of ZnSnO3: First principle calculations
چکیده انگلیسی

First-principles calculations of the structural, electronic and optical properties of ZnSnO3 were performed in the framework of density functional theory. The calculations indicate that the crystal structure of ZnSnO3 at ground state is LiNbO3 (LN)-type structure. The calculated band structure indicates that LN-type ZnSnO3 has a direct band gap of 2.42 eV. The analysis of partial density of states reveals that ZnSnO3 has a strong covalent feature. The dielectric function and refractive indices of ZnSnO3 are also calculated.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 49, Issue 3, September 2010, Pages 552–555
نویسندگان
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