為了瞭解摻鋅鈮酸鋰晶體的結構振動特性以及外來雜質鋅在鈮酸鋰晶體中的取代機制，我們針對一系列利用柴式提拉法成長，摻鋅濃度由0 mol %到8.3 mol %的一致熔融鈮酸鋰晶體進行研究，首先我們想要確認晶體聲子振動模的形式以及瞭解雜質濃度對晶體結構振動所造成的影響，故進行了時間解析激發-探測實驗與晶體的E(TO)拉曼散射光譜測量，實驗結果發現電磁偏極子的同調時間與拉曼聲子半高寬皆隨Zn濃度的增加而有變化，由電磁偏極子同調時間及聲子半高寬隨鋅濃度的變化情形，我們推斷鈮酸鋰晶體E(TO1)與E(TO2)聲子的相關振動模皆與Nb及O原子的振動相關，而E(TO3)聲子的振動模則主要決定於晶體中Li原子的振動。

接著我們想要確認出鋅在鈮酸鋰晶體中的取代位置，故分別對Zn原子及Nb原子進行X光吸收譜的實驗測量，由EXAFS光譜的分析可以確定，在摻雜濃度為8.3 mol%之前，鈮酸鋰晶體中所摻雜的Zn原子都是以+2價的形式取代在Li原子的位置，不因為濃度的增加而改變，並且不影響鈮酸鋰晶體整體的幾何結構，但是由XANES光譜分析，我們發現Zn的摻雜會使晶體中Nb原子的電子結構產生變化，並隨著Zn濃度的增加產生不同的效應。

最後利用低溫拉曼光譜、OH-吸收光譜、粉末X光繞射分析及晶體矯頑場與內場的測量，推測計算出鋅原子在鈮酸鋰晶體中的取代機制隨濃度的變化，以及晶體中缺陷數量的改變，我們所得的結果為NbLi原子約在[Zn]=5.3 mol %時完全被取代，且利用鋰空缺模型計算得到摻雜質鈮酸鋰晶體組成與Zn濃度的關係。

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