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| DC 欄位 | 值 | 語言 |
|---|---|---|
| dc.contributor.advisor | 鄭原忠 | zh_TW |
| dc.contributor.advisor | Yuan-Chung Cheng | en |
| dc.contributor.author | 毛威凱 | zh_TW |
| dc.contributor.author | Wei-Kai Mao | en |
| dc.date.accessioned | 2024-11-19T16:08:06Z | - |
| dc.date.available | 2024-11-20 | - |
| dc.date.copyright | 2024-11-19 | - |
| dc.date.issued | 2024 | - |
| dc.date.submitted | 2024-11-13 | - |
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| dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/96168 | - |
| dc.description.abstract | 這篇論文透過分子動力學 (MD) 模擬研究了用於極紫外光 (EUV) 微影技術的化學增幅光阻 (CAR) 中聚合物架構與光致產酸劑 (PAG) 分佈的行為。通過對四種不同的CAR系統進行建模（包括自由和鍵合陰離子類型），本研究探討了不同聚合物結構如何影響化學分佈的均勻性。通過對徑向分佈函數 (RDF)、數密度分佈和離子的空間分群的分析，其結果顯示鍵合陰離子能夠減少陰離子和陽離子的聚集，從而提高技術的穩定性。此外，對聚合物剛性和可動性的研究表明，較剛性的聚合物單元會限制整個系統的可動性。這些發現為優化下一代半導體製造中的CAR配方提供了重要的見解，特別是在圖形解析度的方面。 | zh_TW |
| dc.description.abstract | This thesis investigates the behavior of polymer architecture and PAG distribution in CARs for EUV photolithography through MD simulations. By modeling four distinct CAR systems, including free and bonded-anion types, this study explores how different polymer structures influence the uniformity of chemical distribution. Through the analysis of RDFs, number density distributions, and ion clustering behavior, the results show that bonded anions reduce aggregation in both anions and cations, enhancing material stability. Additionally, studies of polymer rigidity and mobility reveal that more rigid polymer units limit the mobility of overall system. These findings offer critical insights into the optimization of CAR formulations for next-generation semiconductor manufacturing, especially in feature resolution and pattern fidelity. | en |
| dc.description.provenance | Submitted by admin ntu (admin@lib.ntu.edu.tw) on 2024-11-19T16:08:06Z No. of bitstreams: 0 | en |
| dc.description.provenance | Made available in DSpace on 2024-11-19T16:08:06Z (GMT). No. of bitstreams: 0 | en |
| dc.description.tableofcontents | Verification Letter from the Oral Examination Committee i
Acknowledgements iii 摘要v Abstract vii Contents ix List of Figures xiii List of Tables xv Denotation xvii Chapter 1 Introduction 1 1.1 Semiconductor Photolithography . . . . . . . . . . . . . . . . . . . . 1 1.1.1 Functions of photoresists . . . . . . . . . . . . . . . . . . . . . . . 2 1.1.2 Overview of chemically amplified resist . . . . . . . . . . . . . . . 4 1.2 Chemically Amplified Resist in EUV Photolithography . . . . . . . . 5 1.3 Overview of this thesis . . . . . . . . . . . . . . . . . . . . . . . . . 6 Chapter 2 Theoretical Background for Molecular Dynamics Simulations 9 2.1 Periodic Boundary Condition . . . . . . . . . . . . . . . . . . . . . 9 2.2 Development of Force Field . . . . . . . . . . . . . . . . . . . . . . 10 2.2.1 Bonded interactions . . . . . . . . . . . . . . . . . . . . . . . . . . 10 2.2.2 Non-bonded interactions . . . . . . . . . . . . . . . . . . . . . . . 11 2.3 Equation of Motion in MD . . . . . . . . . . . . . . . . . . . . . . . 13 2.4 Thermostat and Barostat . . . . . . . . . . . . . . . . . . . . . . . . 14 2.4.1 Thermostat . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14 2.4.2 Barostat . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 Chapter 3 Mathematical Methods for Analysing Polymers and PAGs 19 3.1 Polymer Structures Analysis . . . . . . . . . . . . . . . . . . . . . . 19 3.1.1 Polymer models and parameters . . . . . . . . . . . . . . . . . . . 19 3.1.2 Polymer shape identification using gyration tensor matrix . . . . . . 22 3.2 Methods for PAG Distribution Examination . . . . . . . . . . . . . . 24 3.2.1 Radial distribution function . . . . . . . . . . . . . . . . . . . . . . 24 3.2.2 Coordination number . . . . . . . . . . . . . . . . . . . . . . . . . 25 3.2.3 Analysis of Moran’s I . . . . . . . . . . . . . . . . . . . . . . . . . 25 3.2.4 Ion clustering . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26 3.3 Mean square displacement and diffusion coefficient . . . . . . . . . . 27 Chapter 4 MD Simulations 29 4.1 Model CAR Systems . . . . . . . . . . . . . . . . . . . . . . . . . . 29 4.2 GAFF for CAR simulation . . . . . . . . . . . . . . . . . . . . . . . 31 4.2.1 Atom types in CAR models . . . . . . . . . . . . . . . . . . . . . . 32 4.2.2 RESP determination of atomic partial charges . . . . . . . . . . . . 33 4.3 Initial Structure Preparation . . . . . . . . . . . . . . . . . . . . . . 38 4.3.1 Polymer matrix formation from gas phase matrix . . . . . . . . . . 39 4.3.2 Simulated annealing of polymer matrix . . . . . . . . . . . . . . . . 40 4.4 Verification for Equilibrium State . . . . . . . . . . . . . . . . . . . 41 4.5 Procedure for Production Run . . . . . . . . . . . . . . . . . . . . . 43 Chapter 5 Structural Analysis of EUV CAR Polymers 47 5.1 Rigidity of Polymers . . . . . . . . . . . . . . . . . . . . . . . . . . 48 5.1.1 End-to-end distance of CAR polymers . . . . . . . . . . . . . . . . 48 5.1.2 Persistence length of CAR polymers . . . . . . . . . . . . . . . . . 49 5.2 Temperature Dependency of Polymer Shape . . . . . . . . . . . . . . 51 5.2.1 Characterization of the shape of CAR polymers . . . . . . . . . . . 51 5.2.2 Shape description from gyration-tensor analysis . . . . . . . . . . . 53 Chapter 6 PAG Distribution in Polymer Matrix 59 6.1 Cation-anion Interactions . . . . . . . . . . . . . . . . . . . . . . . . 60 6.1.1 Radial distribution of cation-anion coordination . . . . . . . . . . . 60 6.1.2 Coordination number of cation-anion . . . . . . . . . . . . . . . . 62 6.2 Local Density Distribution of PAG . . . . . . . . . . . . . . . . . . . 66 6.2.1 Phase separation due to high temperature . . . . . . . . . . . . . . . 66 6.2.2 Ideal distribution and simulated distribution of anions . . . . . . . . 68 6.2.3 Characterization of distribution homogeneity . . . . . . . . . . . . 72 6.3 Polymer-PAG Interaction . . . . . . . . . . . . . . . . . . . . . . . . 74 Chapter 7 Mobility of Chemicals in CAR 79 7.1 Diffusion of PAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80 7.2 Flexibility of Polymer . . . . . . . . . . . . . . . . . . . . . . . . . 81 7.3 Glass Transition Temperature of CAR Polymers . . . . . . . . . . . 85 Chapter 8 Conclusion 89 References 91 | - |
| dc.language.iso | en | - |
| dc.title | 以分子動力學模擬極紫外光微影的化學放大光阻 | zh_TW |
| dc.title | Exploring Polymer Architecture and PAG Behavior in EUV Chemically Amplified Resists Using MD Simulations | en |
| dc.type | Thesis | - |
| dc.date.schoolyear | 113-1 | - |
| dc.description.degree | 碩士 | - |
| dc.contributor.oralexamcommittee | 金必耀;許良彥;趙聖德 | zh_TW |
| dc.contributor.oralexamcommittee | Bi-Yao Jin;Liang-Yan Xu;Sheng-Der Chao | en |
| dc.subject.keyword | 分子動力學,化學增強光阻,極紫外光微影,聚合物結構,光致產酸劑,離子空間分群, | zh_TW |
| dc.subject.keyword | Molecular Dynamics,Chemically Amplified Resist,EUV Lithography,Polymer Architecture,Photoacid Generator,Ion Clustering, | en |
| dc.relation.page | 96 | - |
| dc.identifier.doi | 10.6342/NTU202404559 | - |
| dc.rights.note | 同意授權(全球公開) | - |
| dc.date.accepted | 2024-11-13 | - |
| dc.contributor.author-college | 理學院 | - |
| dc.contributor.author-dept | 化學系 | - |
| 顯示於系所單位： | 化學系 | |
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