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首页> 外文期刊>Japanese Journal of Applied Physics. Part 1, Regular Papers, Brief Communications & Review Papers >OH~- Absorption of Zn-Doped LiNbO_3 Single Crystals after Proton Exchange
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OH~- Absorption of Zn-Doped LiNbO_3 Single Crystals after Proton Exchange

机译：质子交换后掺Zn的LiNbO_3单晶的OH〜-吸收

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摘要

An investigation of the OH~- absorption spectra of Zn-doped LiNbO_3 single crystals with doping concentrations from 0.0 to 8.3 mol % after proton exchange (PE) is carried out. Before PE treatment, the absorption bands are found centered at approximately 3485 cm~(-1) for the samples with Zn-doping concentrations below 7.5 mol %, whereas two distinct bands at 3505 and 3530 cm~(-1) are clearly observed for the samples with Zn-doping concentrations above 7.5 mol %. After PE treatment, an absorption band at 3505 cm~(-1) is predominant for all the samples, and this is attributed to the high concentration of H~+ ions substituting Li atoms. However, for the highly Zn-doped samples, the lineshape and intensity of the 3530 cm~(-1) mode remain the same during PE. A theoretical investigation using the hybrid density functional B3LYP method with a simple cluster structure shows that the origins of the 3485 and 3530 cm~(-1) absorption modes correspond to the Li- and Nb-vacancy models, respectively.
机译：研究了质子交换（PE）后Zn掺杂的LiNbO_3单晶的掺杂浓度为0.0〜8.3 mol％的OH〜-吸收光谱。在进行PE处理之前，发现Zn掺杂浓度低于7.5 mol％的样品的吸收带集中在3485 cm〜（-1）的中心，而在3505和3530 cm〜（-1）的样品中清晰地观察到两个吸收带。 Zn掺杂浓度高于7.5 mol％的样品。 PE处理后，所有样品在3505 cm〜（-1）处的吸收带占主导地位，这归因于高浓度的H〜+离子取代了Li原子。然而，对于高Zn掺杂的样品，在PE过程中3530 cm〜（-1）模式的线形和强度保持不变。使用具有简单簇结构的混合密度泛函B3LYP方法进行的理论研究表明，3485和3530 cm〜（-1）吸收模式的起源分别对应于Li-和Nb-空位模型。

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