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Theoretical investigations of the local distortion and electron paramagnetic resonance parameter for CdCl2:V^2+ and CsMgX3:V^2+(X=Cl,Br) systems 下载免费PDF全文
This paper systematically investigates the local distortion and electron paramagnetic resonance (EPR) parameter for CdCl 2 :V 2+ and CsMgX 3 :V 2+ (X=Cl, Br) systems on the basis of the complete energy matrix, in which not only the contributions due to the spin–orbit coupling of the central ions but also that of the ligands are considered. To describe the difference of overlapping between d-orbits and p orbit, two spin–orbit coupling coefficients are introduced. By simulating the crystal field parameter and EPR parameter, the local distortion parameters are studied and the relationships between the EPR parameter and the spin–orbit coupling coefficients as well as divergent parameter are discussed. These results show that the local structures exhibit compression distortion for CdCl 2 :V 2+ and elongation distortions for CsMgX 3 :V 2+ (X=Cl, Br), respectively. It notes that the empirical formula R ≈ R H + (r i-r h )/2 is not suitable for CdCl 2 :V 2+ and CsMgX 3 :V 2+ (X=Cl, Br) systems. The contributions of ligand to spin–orbit coupling interaction cannot be neglected for strong covalent systems, especially for V 2+ doped in CsMgBr 3 :V 2+ . 相似文献
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多色多模荧光材料在信息安全加密领域具有重要的应用价值,然而目前多色多模荧光材料的设计合成仍然是一个挑战.本文采用高温固相法制备了一系列Li1–xKxNbO3:Pr3+/Er3+/Tm3+单掺及双掺荧光粉.通过X射线衍射仪、扫描电子显微镜、荧光光谱仪以及自搭建的加热装置,对其结构、形貌、光谱学特性以及热释光性能进行表征.研究了Li0.9K0.1NbO3基质中Pr3+, Er3+, Tm3+单掺及共掺调控的多色多模荧光特性与上/下转换、余辉和光激励荧光机理.基于优异的光谱特性,将三基色荧光粉设计成蝴蝶图案,采用不同波长光选择激发,展现了图案和色彩的动态变化,具有高阶多色多模防伪能力. 相似文献