X光吸收光譜與X光繞射的實驗技術分別可以獲得原子周圍短程有序(short-range order)與長程有序(long-range order)的結構資訊,
繞射異常精細結構(Diffraction Anomalous Fine Structure ,DAFS)實驗方法結合X光吸收光譜與X光繞射的特性,
利用量測兩光布拉格繞射強度對能量分佈,以得到精細結構資訊。
一般常用的DAFS實驗分析方法有兩種:
疊代克拉瑪-克朗尼希法(iterative Kramer-Kronig method)與直接曲線法(direct spline method),
這兩種方法在擬合實驗數據時,都必須以克拉瑪-克朗尼希關係式(Kramer-Kronig Relations,KKR),以得到一對正確的色散修正(dispersion correction)實部△f '和虛部△f '',
才能給予繞射強度最佳的擬合,分析數據的過程都很不容易,
因此如何能夠不經由KKR,就能得到比DAFS更精確、更多訊息的實驗技術以分析精細結構,就是多光繞射異常精細結構(Multiple Diffraction Anomalous Fine Structure ,MDAFS)所要呈現最大的特點。

本論文內容分為兩部分,第一部分進行砷化鎵的EXAFS與DAFS研究,並對於實驗過程中的缺失提出建議,以作為日後實驗的依據;
第二部分是本論文的主要目的,因為複繞射能提供DAFS所缺乏的相位(phase)訊息,由於複繞射圖形在吸收邊緣能量(edge energy)前後因為共振而導致相位的變化,因此我們定義一強度比值(ratio) Rv 以反映出相位的變化,此比值與△f '和△f ''有一定的關係,
由於DAFS實驗要求非常嚴格,分析方法也不是很容易,
所以希望能利用此一複繞射具有相位的特性來得到更精確的結構資訊。
分析過程中以疊代波恩近似法(an iterative Born approximation)的理論計算,加上實驗所得到的△f ''和比值Rv 能精準地得到 △f ' ,並計算出精細結構 x ' ,過程中我們不需要透過KKR的轉換與二光靜力繞射強度的擬合,而能夠求得更精確的色散修正實部 △f '。
我們並且以砷化鎵砷的MDAFS實驗比較動力繞射理論與疊代波恩近似法的實驗結果,驗證出疊代波恩近似法可以應用在MDAFS實驗分析上,
藉此希望將疊代波恩近似法應用在薄膜或其他晶體的MDAFS數據處理。

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