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| DC 欄位 | 值 | 語言 |
|---|---|---|
| dc.contributor.advisor | 陳俊顯 | zh_TW |
| dc.contributor.advisor | Chun-hsien Chen | en |
| dc.contributor.author | 許庭榮 | zh_TW |
| dc.contributor.author | Ting-Rong Hsu | en |
| dc.date.accessioned | 2023-06-20T16:19:44Z | - |
| dc.date.available | 2023-11-09 | - |
| dc.date.copyright | 2023-06-20 | - |
| dc.date.issued | 2023 | - |
| dc.date.submitted | 2023-01-31 | - |
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| dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/87606 | - |
| dc.description.abstract | 本研究探討三核鈷金屬串錯合物[Co3(dpa)4(NCS)2]的自旋電子傳輸行為，討論磁場對「電極-單分子-電極」量測平台測得的單分子導電值的影響。量測方法是掃描式穿隧顯微術斷裂接合法(scanning tunneling microscopy-based break junction, STM BJ)，檢視的量測平台的電極材料有金/金和金/鎳兩種組合，前者的導電值不受磁場的影響，後者會因強力磁鐵的磁力方向而有兩個數量級的差異。非平衡態格林函數-密度泛函理論(non-equilibrium Green's function-density functional theory, NEGF-DFT)計算電子穿透能譜(transmission spectrum)的結果顯示零偏壓的β-spin電子穿透峰(transmission peak)與電極的費米能階相距0.03 eV，小於α-spin的0.35 eV，可見主導傳輸的是β-spin電子。論文中以能態密度(density of states, DOS)的簡化模型解釋導電值量測的自旋選擇效應：磁力方向影響鎳電極的DOS與β-spin電子穿透峰能量；此外，金元素之自旋-軌域耦合(spin-orbit coupling, SOC)與金屬串分子磁矩非定域化的兩者性質共同造成金電極能態密度自旋極化、DOS分裂。上述以DOS圖像描繪出的幾個機制，其加乘的結果定性地描述了自旋選擇效應。本研究呈現金屬串錯合物的磁性所致的電性表現，顯示金屬串錯合物作為自旋電子元件的可能性。 | zh_TW |
| dc.description.abstract | The conductance of single-molecule junctions for a tricobalt metal-string complex [Co3(dpa)4(NCS)2] was investigated under magnetic influence and measured by scanning tunneling microscopy-based break junction (STM BJ) technique. The metal-molecule-metal (MMM) junctions were configured by Au- or Ni-tips of the STM and a piece of Au substrate. For the Ni-Au pair of electrodes, the junction conductance was associated with whether the magnet’s north or south pole faced the Ni-tip. For the control experiments using Au-Au electrodes, the magnetic field had little effect on conductance. Spin-polarized transmission spectra were calculated by non-equilibrium Green's function-density functional theory (NEGF-DFT) and showed a transmission peak of β-spin closer to the electrode Fermi energy than that of the α-spin one, indicating that the magnetic and tranpsport properties of the molecule were dominated by β-spin electron. Proposed herein is a DOS-based model (density of states) in which the magnetized nickel electrode influenced the energy of β-spin transmission peaks. Additionally, the spin-orbit coupling (SOC) effect from gold and the spin delocalization of the molecule led to spin polarization and the consequent DOS splitting in the gold electrode. In conclusion, this study shows the electron-transporting behavior across Au-[Co3(dpa)4(NCS)2]-Ni junctions under the influence of a 0.22-Tesla magnet. | en |
| dc.description.provenance | Submitted by admin ntu (admin@lib.ntu.edu.tw) on 2023-06-20T16:19:44Z No. of bitstreams: 0 | en |
| dc.description.provenance | Made available in DSpace on 2023-06-20T16:19:44Z (GMT). No. of bitstreams: 0 | en |
| dc.description.tableofcontents | 目錄
論文口試委員審定書 i 謝辭 ii 中文摘要 iii ABSTRACT iv 目錄 v 圖目錄 vii 表目錄 x 第1章 緒論 1 1.1. 前言 1 1.2. 單分子電性量測 2 1.2.1. 掃描式穿隧顯微術破裂接合法 2 1.2.2. 電子傳輸機制 3 1.3. 金屬串錯合物 5 1.3.1. 金屬串的介紹 5 1.3.2. 金屬金屬鍵結理論 7 1.3.3. 三核鈷金屬串錯合物的基本性質。 9 1.4. 鐵磁體的自旋特性 11 1.4.1. 鐵磁體 11 1.4.2. 鐵磁體的自旋電子能帶分裂 13 1.4.3. 電極間的自旋極化傳輸 15 1.5. 重金屬的自旋軌域作用 18 1.6. 分子自旋電子傳輸的文獻回顧 19 1.6.1. 單核錯合物之自旋電子傳輸 20 1.6.2. 三核鈷金屬串錯合物的分子軌域與自旋電子穿透能譜 25 1.7. 研究動機 28 第2章 實驗部分 29 2.1. 藥品及耗材 29 2.2. 儀器與設備 30 2.3. 實驗步驟 31 2.3.1. STM的金探針製備 31 2.3.2. 鎳探針蝕刻 31 2.3.3. 鍛燒金基材 33 2.3.4. 組裝樣品槽 35 2.3.5. 以外加磁場磁化鎳探針電極 36 2.3.6. 儀器裝置與架設 37 2.3.7. 樣品配製與實驗條件 38 2.4. 數據處理 38 2.4.1. 一維單分子導電值直方統計圖 38 2.4.2. 單分子導電值-探針位移的二維統計圖 40 第3章 結果與討論 41 3.1. [Co3(dpa)4(NCS)2]於金-金與鎳-金電極系統中的電性 41 3.2. 外加磁場下[Co3(dpa)4(NCS)2]於金-金電極系統中的電性 46 3.3. 外加磁場下[Co3(dpa)4(NCS)2]於鎳-金電極系統中的電性 48 3.4. 外加磁場下[Co3(dpa)4(NCS)2]於鎳-金電極系統中的自旋電子傳輸機制 53 第4章 結論 58 參考文獻 59 附錄 67 | - |
| dc.language.iso | zh_TW | - |
| dc.subject | 非平衡態格林函數-密度泛函理論 | zh_TW |
| dc.subject | 自旋-軌域耦合 | zh_TW |
| dc.subject | 掃描式穿隧顯微術斷裂接合法 | zh_TW |
| dc.subject | 自旋電子學 | zh_TW |
| dc.subject | 磁阻效應 | zh_TW |
| dc.subject | 多核金屬串錯合物 | zh_TW |
| dc.subject | 單分子導電值 | zh_TW |
| dc.subject | Scanning Tunneling Microscopy-Based Break Junction | en |
| dc.subject | Single-Molecule Conductance | en |
| dc.subject | Metal-String Complex | en |
| dc.subject | Magnetoresistance | en |
| dc.subject | Spintronics | en |
| dc.subject | Non-equilibrium Green’s Function-Density Functional Theory | en |
| dc.subject | Spin-Orbit Coupling | en |
| dc.title | 三核鈷金屬串錯合物[Co3(dpa)4(NCS)2]的自旋電子傳輸機制 | zh_TW |
| dc.title | Transport Mechanism of Tricobalt Metal-String Complex [Co3(dpa)4(NCS)2] under Magnetic Influence | en |
| dc.type | Thesis | - |
| dc.date.schoolyear | 111-1 | - |
| dc.description.degree | 碩士 | - |
| dc.contributor.oralexamcommittee | 彭旭明;許良彥 | zh_TW |
| dc.contributor.oralexamcommittee | Shie-Ming Peng;Liang-Yan Hsu | en |
| dc.subject.keyword | 掃描式穿隧顯微術斷裂接合法,自旋電子學,磁阻效應,多核金屬串錯合物,單分子導電值,非平衡態格林函數-密度泛函理論,自旋-軌域耦合, | zh_TW |
| dc.subject.keyword | Scanning Tunneling Microscopy-Based Break Junction,Spintronics,Magnetoresistance,Metal-String Complex,Single-Molecule Conductance,Non-equilibrium Green’s Function-Density Functional Theory,Spin-Orbit Coupling, | en |
| dc.relation.page | 72 | - |
| dc.identifier.doi | 10.6342/NTU202300132 | - |
| dc.rights.note | 同意授權(限校園內公開) | - |
| dc.date.accepted | 2023-02-02 | - |
| dc.contributor.author-college | 理學院 | - |
| dc.contributor.author-dept | 化學系 | - |
| dc.date.embargo-lift | 2027-12-23 | - |
| 顯示於系所單位： | 化學系 | |
文件中的檔案：
| 檔案 | 大小 | 格式 | |
|---|---|---|---|
| ntu-111-1.pdf 未授權公開取用 | 4.61 MB | Adobe PDF | 檢視/開啟 |
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