Report
Beyond ab initio reaction simulator: an application to GaN metalorganic vapor phase epitaxy
| العنوان: | Beyond ab initio reaction simulator: an application to GaN metalorganic vapor phase epitaxy |
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| المؤلفون: | Kusaba, Akira, Nitta, Shugo, Shiraishi, Kenji, Kuboyama, Tetsuji, Kangawa, Yoshihiro |
| المصدر: | Appl. Phys. Lett. 121, 162101 (2022) |
| سنة النشر: | 2022 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Materials Science |
| الوصف: | To develop a quantitative reaction simulator, data assimilation was performed using high-resolution time-of-flight mass spectrometry (TOF-MS) data applied to GaN metalorganic vapor phase epitaxy system. Incorporating ab initio knowledge into the optimization successfully reproduces not only the concentration of CH$_4$ (an impurity precursor) as an objective variable but also known reaction pathways. The simulation results show significant production of GaH$_3$, a precursor of GaN, which has been difficult to detect in TOF-MS experiments. Our proposed approach is expected to be applicable to other applied physics fields that require quantitative prediction that goes beyond ab initio reaction rates. Comment: 6 pages, 4 figures |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1063/5.0119783 |
| URL الوصول: | http://arxiv.org/abs/2210.11748 |
| رقم الانضمام: | edsarx.2210.11748 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1063/5.0119783 |
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