کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
7971462 1514447 2017 34 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Automated algorithms for band gap analysis from optical absorption spectra
ترجمه فارسی عنوان
الگوریتم های خودکار برای تجزیه و تحلیل شکاف باند از طیف جذب نوری
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد دانش مواد (عمومی)
چکیده انگلیسی
As high-throughput combinatorial experimental methods become more common, the technical challenge is shifting from producing materials to dealing with increasingly large datasets. One of the most important metrics to determine suitability of semiconductor materials for various applications is the band gap. This paper discusses automated algorithms for determining band gaps from optical absorption spectra. The algorithms are applied to a database of 34,313 optical absorption spectra, and selected results are compared to published theoretical and experimental band gap data from 16 materials sets. The best algorithm determines the band gaps with an accuracy of 0.37 eV for direct- and 0.93 eV for indirect band gaps for >20,000 spectra.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Materials Discovery - Volume 10, December 2017, Pages 43-52
نویسندگان
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