以數值分析法分析氮化鎵薄膜沉膜機制之探討暨實作驗證

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胡智愷(Chih-Kai, Hu) 查詢紙本館藏

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機械工程學系

論文名稱

以數值分析法分析氮化鎵薄膜沉膜機制之探討暨實作驗證
(Numerical Verification for Prediction of Gallium Nitride Thin Film Growth)

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摘要(中)

本研究建立一套藍光LED磊晶製程的簡化機制。先以零維反應器模型求解，接著再以二維反應器模型求解其應用於實際機台的沉積率，並跟實際製程做比對驗證。目標是做出一套可於實際工業界應用的輔助系統。
起初先建立氮化鎵之金屬有機化學氣相沉積反應機制，以零維反應器模型求解。探討不同操作參數對鍍膜製程之影響。目標是在一般的運算主機中探用此機制可以在製程前獲得參考的解，減少不必要的氣體浪費。利用物種生成速率分析(Rate-of-production Analysis)，探討不同操作參數對鍍膜製程之影響。接著再更進一步的去掉環狀結構假設以及加合物假設得到依氣相反應僅一條的最精簡機制，並與原先複雜機制以及文獻數計比對，發現大大的不但縮短運算時間之外，同時在藍光製程溫度區仍有不錯的精準度。
接著跟文獻以及實際業界提供的參數比對，發現本研究所建立的模型可有效地探討金屬有機化學氣相沉積中複雜的化學反應機制，在此小節中分成立式腔體和水平腔體分別比對，發現不管是哪一種腔體，在藍光製程高溫區都有不錯的準確度。
最後為了跟實際上的Showhead比對，經過模型的換算後，由工業技術研究院提供的數據比對，發現化簡機制的模型計算結果與工研院提供的實驗數據吻合。未來期許應用於實際業界機台的人機介面上。用同樣的方法可以去快速篩選一個化學反應的機制，本研究提供的不僅僅是一個結果，也期許將此觀念擴散到業界，提高國內製程良率以及競爭力。

摘要(英)

A numerical procedure was performed to simplify the complicated mechanism of an epitaxial thin-film growth process. In this study, three numerical mechanism models are presented for verifying the growth rate of the gallium nitride (GaN) mechanism. The mechanism models were developed through rate of production analysis.
All of the results can be compared in one schematic diagram, and the differences among these three mechanisms are pronounced at high temperatures. The simplified reaction mechanisms were then used as input for a two-dimensional computational fluid dynamics code FLUENT, enabling the accurate prediction of growth rates. Validation studies are presented for two types of laboratory-scale reactors (vertical and horizontal).
A computational study including thermal and flow field was also performed to investigate the fluid dynamic in those reactors. For each study, the predictions agree acceptably well with the experimental data, indicating the reasonable accuracy of the reaction mechanisms.
Futhermore, a verification procedure and the effects of operating conditions in a large, vertical, and close-spaced reactor for metalorganic chemical vapor deposition are investigated through simulation and analysis. A set of epitaxy experiments are presented for verifying the growth rate of the gallium nitride (GaN) mechanism reported in our previous study.
The full governing equations for continuity, momentum, energy, and chemical reaction are solved numerically. The results show that the real operating parameters (susceptor temperature: 1188℃or 1238℃; pressure: 100–300 torr) affect thin-film uniformity, and the predicted growth rates agree reasonably well with the experimental data (Provided by ITRI, Taiwan), indicating the accuracy of the projected chemical reaction mechanisms.

關鍵字(中)

★ MOCVD
★ LED
★ Epitaxy
★ Numerical
★ Modeling
★ Simulation

關鍵字(英)

論文目次

中文摘要 . v
Abstract vi
致謝 . vii
圖目錄 . xi
表目錄 xv
符號說明 . xvi
第一章、背景 . 1
1-1. 前言 1
1-2. 研究動機 . 3
1-3. 參考文獻 . 5
1-4. 研究內容及目的 11
第二章、沉膜腔體及理論介紹 13
2-1. MOCVD 簡介 . 13
2-1-1. 磊晶概述 . 13
2-1-2. MOCVD 磊晶系統 14
2-2. 薄膜沉積理論 22
2-2-1. 薄膜沉積過程 . 22
2-2-2. 化學氣相沈積 . 24
2-3. 金屬有機化學氣相沈積 . 27
第三章、研究理論 29
3-1. 研究流程 29
3-2. 零維模型數值理論 . 31
3-2-1. 零維模型概述 . 31
3-3. 二維模型數值理論 . 38
3-3-1. MOCVD 反應腔系統機制分析 . 38
3-3-2. 相關條件假設闡述 41
3-3-3. 動量傳輸 . 41
3-3-4. 熱能傳遞 . 42
3-3-5. 質量傳輸 . 42
3-3-6. 輸送性質 . 43
3-3-6. 自然對流尺度參數 44
3-3-7. 統御方程式 44
3-4. 二維模型理論 : 控制方程的通用形式 . 47
3-5. CFD的求解過程 49
3-6. FLUENT的軟體結構的軟體結構 53
3-6-1.FLUENT的運算結構的運算結構 . 53
3-7. 控制方程離散法介紹 55
3-7-1. 離散化的介紹 . 55
3-7-2. 有限體積法介紹 56
3-8. 流場數值方法介紹 . 62
3-8-1. 流場數值計算的主要方法 62
3-8-2. SIMPLE算法介紹算法介紹 . 64
3-9. 有限速率模型介紹 . 69
第四章、研究成果 71
4-1. 氮化鎵模型研究 71
4-1-1. 完整模型研究 (Complete Model) 71
4-1-2. 各參數對鍍膜速率的影響 80
4-2. 簡化模型 1(Reduced Model) 89
4-2-1. 文獻氮化鎵反應模型之ROP 分析 89
4-3. 簡化模型 2 (New Model) 94
4-3-1.文獻氮化鎵之反應模型ROP分析 94
4-4. 二維模型文獻比對 . 104
4-4-1. 軟體介面紹跟參數輸入說明 104
4-4-2. 二維模型的跟文獻比對及探討 111
4-5. 二維模擬跟實驗比對 127
第五章、未來工作 . 134
參考文獻 135

參考文獻

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指導教授

利定東

審核日期

2017-10-27

推文