本論文主要以X 光吸收光譜及價帶光電子能譜實驗研究銅鐵礦透
光半導體CuCr1-xO2(0≦x≦0.1)的電子與原子結構。此實驗主要研究
當鉻缺 (x≠0)時，一系列不同含量之樣品在導帶以及價帶上傳輸性質
之變化與機制研究。由延伸X 光吸收精細結構(X-ray absorption fine
structure，EXAFS)之量測上發現當鉻缺變大時，系列樣品之原子結
構沒有顯著變化，X 光吸收近邊緣結構(X-ray absorption near edge
structure，XANES)則顯示了鉻缺陷會使得銅離子由Cu+轉變為Cu2+
而產生電洞，由價電帶光電子能譜上也顯示出當鉻缺會使得Cu 3d-O
2p 之間的軌域混成增加，我們也可以得知系列樣品之載子傳遞方式
是在Cu 3d 與O 2p 之間傳導電子；電洞與軌域混成增加之變化皆利
於增加樣品之導電能力，進而增加半導體的傳導效率。

We have investigated the electronic and atomic structures of
delafossite CuCr1-xO2 (0≦x≦1) system. No significant changes in local
atomic structure of CuCr1-xO2 were observed by extended x-ray
absorption fine structure (EXAFS). X-ray absorption near edge fine
structure (XANES) shows that the valence state of Cu increased from Cu1+
to Cu2+ will create hole doping with decreasing Cr concentration. Valence
band x-ray photoemission spectroscopy (VB-XPS) indicates the enhanced
hybridization of Cu 3d-O 2p orbital. The data observed in XANES and
VB-XPS suggest the carrier transport between Cu 3d and O 2p. Both the
hole doping and enhanced hybridization of Cu 3d-O 2p are important for
increasing the conductivity.

第一章、 緒論.......................................1
(一) 多鐵材料半導體CuMO2....................1
(二) CuCrO2的晶格結構........................2
(三) 鉻缺陷對電性的影響.......................2
第二章、 X 光吸收光譜簡介...........................7
(一) 吸收邊緣與E0 值...........................8
(二) X 光吸收近邊緣結構 (XANES).............11
(三) X 光延伸吸收精細結構 (EXAFS)...........11
(四) 實驗方法................................17
(五) 數據分析................................21
第三章、 菱形八面體(CuCr1-XO2)的電子結構與原子結構.26
(一) 鉻缺陷對於銅鉻氧的電子結構之改變........26
(二) 樣品製備與量測..........................27
(三) 實驗數據分析與討論......................28
第四章、結論.......................................57
參考文獻...........................................58

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