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研究生: 陳昆富
Chen, Kun-Fu
論文名稱: 研究 Heusler-type 化合物Ru2TaAl的傳輸性質及電子結構
Investigation of transport and electronic structure of Heusler-type compound Ru2TaAl
指導教授: 呂欽山
Lue, Chin-Shan
學位類別: 碩士
Master
系所名稱: 理學院 - 物理學系
Department of Physics
論文出版年: 2017
畢業學年度: 105
語文別: 中文
論文頁數: 73
中文關鍵詞: 熱電核磁共振半金屬傳輸行為
外文關鍵詞: Nuclear Magnetic Resonance, Heusler-type, relaxation, Korringa realation
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  • Heusler-type Ru2TaAl我們利用量測其電阻、熱電、熱導、比熱和核磁共振來得知其傳輸性質和電子特性,並利用第一原理理論計算去驗證我們的實驗結果。
    利用電弧法將樣品成功合成,必在800℃下退火72小時,從XRD粉末繞射圖來看確認其為 Cubic L21 結構,測量電阻得知其有半金屬的特性,測量Seebeck得知其主要傳輸載子為電洞,測量比熱去計算出在費米能階上有殘餘的態密度,再從自旋晶格鬆弛時間在高溫表現的行為推測為傳輸載子受到熱激發跨越鷹能隙並計算出能隙大小,從熱導推測此樣品是一個有潛力的熱電材料,最後藉由第一原理的理論計算驗證上述實

    In principle, a Heusler compound with cubic L21 structure having total number of valence electrons per formula unit (VEC) equal to twenty-four possesses a band gap or pseudogap in the vicinity of the Fermi level. The present case of Ru2TaAl also belongs to the member of VEC = 24 family. To further examine the possible gap of pseudogap features in Ru2TaAl, Ru2TaAl ingots were prepared by using an ordinary arc-melting technique. The X-ray diffraction pattern (XRD) result confirms the L21 structure with a lattice constant a = 6.13 Å. we have carried out the transport, thermoelectric, specific heat, and 27Al NMR measurements to crystallize its physical properties. Temperature-dependent electrical resistivity ρ(T), exhibits semiconducting behavior as indicated by its negative temperature coefficient of resistivity. The Seebeck coefficient S is positive in the entire temperature range under investigate, suggesting that the dominant carriers for the thermoelectric transport are holes in Ru2TaAl. A small value of the Fermi level DOS N(EF) was estimated according to Low-T specific heat. From the analysis of NMR 1/T1, we obtained a reliable pseudogap of about 0.29 eV for Ru2TaAl.All measured quantities are in good agreement with the semimetallic scenario, implying that Ru2TaAl is a semimetal with a pseudogap at around the Fermi level.

    誌謝...........................I 摘要………………………………………………………..…….II Abstract…………………………………………………...........III 目錄……………………………………………………………..VI 表目錄………………………………………………………….IX 圖目錄…………………………………………………………..X 第一章 前言…………………………………………………….1 第二章 基礎理論 2-1 電傳導率…………………………………….…………...3 2-2 熱傳導理論………………………………………………6 2-3 熱電效應………………………………………………..12 2-4 黎曼效應………………………………………..............19 2-5 線形……………………………………………………..20 2-6 奈特位移………………………………………………..22 2-7 電四重極效應…………………………………………..25 2-8 運動方程式……………………………………………..27 2-9 自旋晶格鬆弛時間……………………………………..30 第三章 樣品製備 3-1 實驗儀器………………………………………..............33 3-2 樣品製作………………………………………………..35 第四章 實驗量測 4-1 電阻率量測……………………………………………..36 4-2 熱導率量測……………………………………………..36 4-3 Seebeck係數量測……………………………….............38 4-4 核磁共振儀……………………………………………..39 4-5 NMR量測方法………………………………………….42 第五章 實驗結果與討論 5-1 X-Ray粉末繞射分析……………………………………47 5-2 電阻率特性分析………………………………………..51 5-3 熱電是特性分析………………….………….…………52 5-4 熱導率特性分析………………………………………..54 5-5 比熱特性分析…………………………………………..57 5-6共振頻譜線形…………………………………………...60 5-7 奈特位移………………………………………………..62 5-8 自旋晶格鬆弛時間……………………………………..64 5-9 電子結構計算…………………………………………..67 第六章 結論…………………………………………………….69 參考文獻………………………………………………………...70

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