本研究以高溫固態反應法合成Li2ZnTi3O8作為主體材料，主要使用Mn4+離子作為發光中心置換主體材料內的Ti格位，並以Ge4+離子作為敏化劑共摻雜進Li2ZnTi3O8增強放射光譜的強度，使螢光材料能夠放射出紅光，並探討其結構及光學性質。
第一部分透過密度泛函理論之ab initio計算，建立出無摻雜、單摻雜Mn4+與共摻雜Ge4+之原子結構與能態密度圖。其結果發現在摻雜Mn4+離子之能態密度圖上，其價帶的頂端與導帶的底部皆有屬於Mn之3d軌域的貢獻，而Ge4+因為能態密度之重疊，能夠靠共振來減少多重聲子躍遷所造成之能量損失，作為敏化劑來增強放光強度。
　　第二部分搭配TGA圖譜，探討在不同之燒結溫度下Li2ZnTi3O8:Mn4+之螢光特性，可以發現隨著溫度的上升，其放射強度有隨之增強的趨勢，而在1000°C時，有最強的放射光強度。透過XRD半高寬的擬和發現隨著溫度的增加，其半高寬也有下降的趨勢。
　　第三部分探討不同Mn4+離子濃度對結構以及光學特性的影響，而在Mn4+離子濃度為0.3%時，會有最強的放射光譜強度，且其Raman之振動與拉伸皆與無摻雜之主體無太大落差，而SEM圖之表面形貌並沒有明顯的改變。在Li2ZnTi3O8:0.3%Mn4+在350 nm激發下，在680 nm處有一放射光，而其激發光譜範圍落在250-600 nm，可以使用紫外光、近紫外光以及藍光LED所激發，而漫反射光譜圖可以與其相互呼應。
　　第四部份探討共摻雜不同Ge4+離子濃度對其螢光特性的影響，結果顯示Ge4+離子的摻雜能夠增強其放射光譜的強度，其強度增強約50%這與第一原理計算的結果相符。其CIE座標也由(0.7268, 0.2732)轉換至(0.7318, 0.2682)，而色純度則由98.3%增加至99.5%。

A novel red phosphor Li2ZnTi3O8: Mn4+ is discussed thoroughly. Ab initio calculation are performed on mono-doped Mn4+ and co-doped Ge4+ Li2ZnTi3O8 to predict the influences of its Density of states. Li2ZnTi3O8: Mn4+, Ge4+ red phosphors were successfully synthesized via high temperature solid state reaction method. The optimized concentration of Mn4+ and Ge4+ in Li2ZnTi3O8 host that was excited in 350nm was determined to be 0.3% and 0.4% , respectively. Through PLE and PL spectra analysis there is no obvious variation in PL spectra silhouette and position. The quantum efficiency increases when Mn4+ concentration increases. In addition, we successfully turned the CIE of Li2ZnTi3O8: 0.3% Mn4+ from (0.7268, 0.2732) to (0.7318, 0.2682) and the color purity from 98.3% to 99.5% by co-doping 0.4% Ge4+.

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