کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10356401 | 867774 | 2005 | 26 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A genetic algorithm based inverse band structure method for semiconductor alloys
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی کامپیوتر
نرم افزارهای علوم کامپیوتر
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: A genetic algorithm based inverse band structure method for semiconductor alloys A genetic algorithm based inverse band structure method for semiconductor alloys](/preview/png/10356401.png)
چکیده انگلیسی
We present an efficient and accurate method for searching for atomic configurations with target band structure properties. Our approach to this inverse problem is to search the atomic configuration space by repeatedly applying a forward solver, guiding the search toward the optimal configuration using a genetic algorithm. For the forward solver, we relax the atomic positions, then solve the Schrödinger equation using a fast empirical pseudopotential method. We employ a hierarchical parallelism for the combined forward solver and genetic algorithm. This enables the optimization process to run on many more processors than would otherwise be possible. We have optimized AlGaAs alloys for maximum bandgap and minimum bandgap for several given compositions and discuss the results. This approach can be generalized to a wide range of applications in material design.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Computational Physics - Volume 208, Issue 2, 20 September 2005, Pages 735-760
Journal: Journal of Computational Physics - Volume 208, Issue 2, 20 September 2005, Pages 735-760
نویسندگان
Kwiseon Kim, Peter A. Graf, Wesley B. Jones,