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| DC 欄位 | 值 | 語言 |
|---|---|---|
| dc.contributor.advisor | 金必耀 | zh_TW |
| dc.contributor.advisor | Bih-Yaw Jin | en |
| dc.contributor.author | 張詠晰 | zh_TW |
| dc.contributor.author | Yung-Hsi Chang | en |
| dc.date.accessioned | 2025-05-07T16:10:01Z | - |
| dc.date.available | 2025-05-08 | - |
| dc.date.copyright | 2025-05-07 | - |
| dc.date.issued | 2025 | - |
| dc.date.submitted | 2025-04-21 | - |
| dc.identifier.citation | J.-i. Aihara. Graph theory of ring-current diamagnetism. BCSJ, 91(2):274–303, 2018.
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Supercond., 28(3):1–5, 2018. | - |
| dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/97356 | - |
| dc.description.abstract | 本研究基於休克爾-倫敦模型，探討共軛分子體系中的佩爾斯不穩定性及其在外加磁場影響下的行為, 結合理論分析與數值計算，解析共軛分子在磁場作用下的電子結構變化，並探討其對分子穩定性與能量分佈的影響。透過對磁場下的電子態變化進行計算與分析，我們揭示了共軛體系在磁場作用下可能發生佩爾斯不穩定性，並對未來相關材料的設計提供理論指引。 | zh_TW |
| dc.description.abstract | This study is based on the Huckel–London model to investigate the Peierls instability in conjugated molecular systems and its behavior under an applied magnetic field. By combining theoretical analysis with numerical calculations, we investigate the evolution of the electronic structure of conjugated molecules induced by the magnetic field and assess their impact on molecular stability and energy distribution. Our computations and analyses of the electronic states under a magnetic field reveal that conjugated systems may undergo Peierls instability, providing theoretical guidance for the future design of related materials. | en |
| dc.description.provenance | Submitted by admin ntu (admin@lib.ntu.edu.tw) on 2025-05-07T16:10:01Z No. of bitstreams: 0 | en |
| dc.description.provenance | Made available in DSpace on 2025-05-07T16:10:01Z (GMT). No. of bitstreams: 0 | en |
| dc.description.tableofcontents | 論文口試委員審定書 i
Acknowledgements iii 摘要 v Abstract vii Contents ix List of Figures xi Chapter 1 Introduction 1 1.1 Conjugated Systems: Annulene and Möbius Annulene 1 1.2 Literature Review of Peierls Instability 2 1.3 Research Significance and Outlook 4 Chapter 2 Magnetic Field Effects on Conjugated Ring Systems 5 2.1 Structure and Hückel model of Annulenes and Möbius Annulene 5 2.2 Theoretical Foundations of Gauge Invariance 9 2.3 Gauge Invariance of Schrödinger Equation 11 2.4 Gauge Invariant Atomic Orbital 12 2.5 Hückel-London Method 13 2.6 Summary 15 Chapter 3 Field-Free Peierls Instability of Annulene and Möbius Annulene 17 3.1 Theoretical Model of Peierls Instability 17 3.2 Potential Energy Surface (PES) Analysis of Closed-Shell Configuration 21 3.3 Force Constant Analysis in the Field-Free Limit 29 3.4 Potential Energy Surface Analysis of Open-Shell Configuration 31 3.5 Summary 37 Chapter 4 Peierls Instability Under Magnetic Field 39 4.1 SSH Model Under Magentic Field 39 4.2 Field-Induced Peierls Instability. 41 4.3 Electronic configurtion transition under Magnetic Field 46 4.4 Impact of Peierls Instability on Ring Current 54 4.5 Summary. 61 Chapter 5 Remark and Conclusion 63 References 67 | - |
| dc.language.iso | en | - |
| dc.title | 基於休克爾-倫敦模型對磁場誘發佩爾斯不穩定性的分析:以輪烯為例 | zh_TW |
| dc.title | Hückel-London Model Analysis of Magnetic-Field-Induced Peierls Instability in Annulene | en |
| dc.type | Thesis | - |
| dc.date.schoolyear | 113-2 | - |
| dc.description.degree | 碩士 | - |
| dc.contributor.oralexamcommittee | 鄭原忠;李祐慈 | zh_TW |
| dc.contributor.oralexamcommittee | Yuan-Chung Cheng;Elise Yu-Tzu Li | en |
| dc.subject.keyword | 休克爾-倫敦模型,佩爾斯不穩定性,共軛分子,磁場效應, | zh_TW |
| dc.subject.keyword | Hückel-London model,Peierls instability,conjugated molecules,magnetic field effects, | en |
| dc.relation.page | 72 | - |
| dc.identifier.doi | 10.6342/NTU202500826 | - |
| dc.rights.note | 同意授權(限校園內公開) | - |
| dc.date.accepted | 2025-04-21 | - |
| dc.contributor.author-college | 理學院 | - |
| dc.contributor.author-dept | 化學系 | - |
| dc.date.embargo-lift | 2030-04-16 | - |
| 顯示於系所單位： | 化學系 | |
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