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http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/79544完整後設資料紀錄
| DC 欄位 | 值 | 語言 |
|---|---|---|
| dc.contributor.advisor | 郭光宇(Guang-Yu Guo) | |
| dc.contributor.author | Kuang-Chi Chen | en |
| dc.contributor.author | 陳廣奇 | zh_TW |
| dc.date.accessioned | 2022-11-23T09:03:17Z | - |
| dc.date.available | 2021-10-04 | |
| dc.date.available | 2022-11-23T09:03:17Z | - |
| dc.date.copyright | 2021-10-04 | |
| dc.date.issued | 2021 | |
| dc.date.submitted | 2021-09-25 | |
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| dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/79544 | - |
| dc.description.abstract | " 磁光效應不僅測量材料的磁性和電子結構，且在科技上有重要的應用，例如高密度記憶儲存設備。在碳族硫族酸鉻化合物Cr2X2Y6(X = Ge, Si; Y = Te, Se)裡，因碳族碲酸鉻化合物(Cr2X2Te6)是鐵磁半導體及鍺碲酸鉻(Cr2Ge2Te6)於最近的研究發現有強磁光效應，但碳族硒酸鉻化合物(Cr2X2Se6)的磁性和導電能力未知，故可用此四種材料來做基礎物理研究。至今除了鍺碲酸鉻(Cr2Ge2Te6)，尚未有第一原理計算研究其餘三個材料之磁光效應。於此論文中，會以鷹勢能搭配廣義梯度近似及哈伯項(GGA+U)方法的密度泛函理論計算並有系統地討論碳族硫族酸鉻化合物的電子結構、磁性、磁晶異向能、光學和磁光性質。我們不僅預測碳族硒酸鉻化合物為鐵磁半導體，且發現碳族硫族酸鉻化合物的磁晶異向能之範圍介於0.01(毫電子伏特/化學式)和1(毫電子伏特/化學式)之間。此外，矽碲酸鉻(Cr2Si2Te6)、鍺硒酸鉻(Cr2Ge2Se6)和矽硒酸(Cr2Si2Se6)有不同的磁光效應，像是矽碲酸鉻(Cr2Si2Te6)、鍺硒酸鉻(Cr2Ge2Se6)和矽硒酸鉻(Cr2Si2Se6)之最大克爾旋轉角皆大於0.4度 (於光子能量 ≤ 8電子伏特)，而矽碲酸鉻(Cr2Si2Te6)、鍺硒酸鉻(Cr2Ge2Se6)和矽硒酸鉻(Cr2Si2Se6)的法拉第旋轉角分別為3.0度/微米、-0.9度/微米和-6.6度/微米(於光子能量約2.07電子伏特)，皆超過釔鐵石榴石(Y3Fe5O12)的六倍大。" | zh_TW |
| dc.description.provenance | Made available in DSpace on 2022-11-23T09:03:17Z (GMT). No. of bitstreams: 1 U0001-2309202110580600.pdf: 3578631 bytes, checksum: 4d1a5a3bd738bfad851b1835f431d598 (MD5) Previous issue date: 2021 | en |
| dc.description.tableofcontents | "口試委員會審定書 # 摘要 i Abstract ii List of Figures v List of Tables vii Chapter 1 Introduction 1 1.1 Magnetocrystalline anisotropy energy 1 1.2 Magneto-optical effects 1 Chapter 2 Theory and computational methods 4 2.1 Bloch theorem, Brillouin zone, and band structures 4 2.2 Density Functional theory 6 2.2.1 Hohenberg-Kohn theorem 8 2.2.2 Kohn-Sham theorem 8 2.3 Projector augmented-wave method 11 2.4 Thomas Fermi theory 12 2.5 Exchange correlation potentials 14 2.5.1 Local density approximation 14 2.5.2 Generalized gradient approximation with the effective on-site Coulomb energy U 15 2.6 The hybrid HSE06 functional within the maximally localized Wannier functions 16 2.7 Spin-orbit coupling 18 2.8 Magnetocrystalline anisotropy energy 20 2.9 Optical conductivity and Magneto-optical effects 20 Chapter 3 Properties of Cr2X2Y6 24 3.1 Crystal Structure 24 3.2 Magnetic moment and Magnetocrystalline anisotropy energy 26 3.3 Electronic structure 28 3.3.1 Band structure 28 3.3.2 Density of states 31 3.4 Optical conductivity 36 3.5 Magneto-optical effects 42 Chapter 4 Conclusion 47 Bibliography 49" | |
| dc.language.iso | en | |
| dc.title | "以第一原理計算研究碳族硫族酸鉻化合物的電子結構及磁光效應 (碳族:鍺,矽;硫族:碲,硒)" | zh_TW |
| dc.title | "An ab-initio study of electronic structure and magneto-optical effects of bulk Cr2X2Y6 (X= Ge, Si ; Y= Te, Se)" | en |
| dc.date.schoolyear | 109-2 | |
| dc.description.degree | 碩士 | |
| dc.contributor.oralexamcommittee | 詹楊皓(Hsin-Tsai Liu),薛宏中(Chih-Yang Tseng),李啟正,蔡政達 | |
| dc.subject.keyword | 碳族硫族酸鉻化合物(碳族：鍺、矽,硫族：碲、硒),磁晶異向能,磁光效應,第一原理計算,鐵磁半導體, | zh_TW |
| dc.subject.keyword | Cr2X2Y6 (X = Ge, Si,Y= Te, Se),magnetocrystalline anisotropy energy,magneto-optical effect,first principle calculation,ferromagnetic semiconductor, | en |
| dc.relation.page | 53 | |
| dc.identifier.doi | 10.6342/NTU202103308 | |
| dc.rights.note | 同意授權(全球公開) | |
| dc.date.accepted | 2021-09-27 | |
| dc.contributor.author-college | 理學院 | zh_TW |
| dc.contributor.author-dept | 物理學研究所 | zh_TW |
| 顯示於系所單位： | 物理學系 | |
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