理解锗酸锌的UV发光：自然缺陷的作用
Understanding the UV luminescence of zinc germanate: The role of native defects
摘要：
在光电子器件中，实现高效且稳定的紫外发射是一个具有挑战性的目标。在这里，我们调查的紫外发光锗酸锌Zn2GeO4微丝的光致发光测量作为温度和激发条件的函数。所发射的UV光由与原生缺陷结构相关联的两个带（宽带和窄带）组成。此外，借助密度泛函理论（DFT）计算了Zn_2GeO_4中与本征缺陷有关的电子能级的能量位置。特别是，我们的研究结果支持，锌化合物是负责窄的紫外波段，这是，反过来，分为两个组件具有不同的温度依赖性行为。根据Zn_i在晶格中的特殊位置解释了这两个组分的来源，并与DFT计算结果相一致。此外，动力学发光模型，提出了确定这种UV发射的温度演变。这些结果铺平了道路，利用缺陷工程在实现功能性光电子器件在紫外区工作。
英文摘要：
Achieving efficient and stable ultraviolet emission is a challenging goal in optoelectronic devices. Herein, we investigate the UV luminescence of zinc germanate Zn2GeO4 microwires by means of photoluminescence measurements as a function of temperature and excitation conditions. The emitted UV light is composed of two bands (a broad one and a narrow one) associated with the native defects structure. In addition, with the aid of density functional theory (DFT) calculations, the energy positions of the electronic levels related to native defects in Zn2GeO4 have been calculated. In particular, our results support that zinc interstitials are the responsible for the narrow UV band, which is, in turn, split into two components with different temperature dependence behaviour. The origin of the two components is explained on the basis of the particular location of Zn_i in the lattice and agrees with DFT calculations. Furthermore, a kinetic luminescence model is proposed to ascertain the temperature evolution of this UV emission. These results pave the way to exploit defect engineering in achieving functional optoelectronic devices to operate in the UV region.
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