کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
11030971 | 1646110 | 2018 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
First principles investigation of electronic and optical properties of AgAlO2
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
فیزیک و نجوم
فیزیک اتمی و مولکولی و اپتیک
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چکیده انگلیسی
The electronic and optical properties of AgAlO2 were determined by using Generalized Gradient Approximation (GGA) suggested by Perdew-Burke-Ernzerhof (PBE) with the addition of Hubbard potential along with linearized augmented plane wave pseudopotential. Our computed band structure infers that our calculated bandgap (1.5â¯eV) is closer to the experimental (2.81â¯eV) as compare to the previous theoretical values (1.16â¯eV). The investigated band structure also reflects that AgAlO2 is an indirect semiconductor material. The investigated atomic positions and lattice constants are in good agreement with the experimental values than the earlier theoretical values. From presented optical properties one can observe that AgAlO2 is a good conducting material. The absorption spectrum infers that AgAlO2 is an expensive material for photo-electronic devices or solar-cell applications.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chinese Journal of Physics - Volume 56, Issue 5, October 2018, Pages 2186-2190
Journal: Chinese Journal of Physics - Volume 56, Issue 5, October 2018, Pages 2186-2190
نویسندگان
Muhammad Rizwan, Imran Haider, Tariq Mahmood, Muhammad Shakil, Mahmood ul Hassan, Jin Hai-Bo, Cao Chuan Bao,