کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1862666 1037600 2008 5 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab initio investigations on the electronic structure and optical properties of HX-ZnO
موضوعات مرتبط
مهندسی و علوم پایه فیزیک و نجوم فیزیک و نجوم (عمومی)
پیش نمایش صفحه اول مقاله
Ab initio investigations on the electronic structure and optical properties of HX-ZnO
چکیده انگلیسی
First-principles ultrasoft pseudopotential method is applied to study HX ZnO, which has a novel graphite like hexagonal structure transformed from wurtzite (WZ) phase under tensile stress along [011¯0] direction or compressive stress along [0001] direction. The electronic structure and optical properties, including dielectric function, reflectivity and absorption coefficient, of HX ZnO are calculated and compared with those of WZ ZnO under the given uniaxial stress. It is found that HX ZnO is an indirect semiconductor, being different from WZ ZnO. HX ZnO has a dielectric response different from WZ ZnO at ambient conditions or under the given uniaxial stress, especially in the case of E∥c. Similar variation is also observed in the reflectivity and absorption coefficient. The variation in the optical properties is attributed to the additional ZnO bond along c-axis HX ZnO.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physics Letters A - Volume 372, Issue 32, 4 August 2008, Pages 5372-5376
نویسندگان
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