Luminescence properties of ZnSe single crystals co-doped with Fe and Cr

Q2 Engineering Optical Materials: X Pub Date : 2025-02-01 Epub Date: 2025-01-08 DOI:10.1016/j.omx.2024.100393

K. Lamonova , A. Prokhorov , M. Schmidbauer , A. Kwasniewski , Yu Kazarinov , M. Konuhova , A. Platonenko , Z. Remeš , K. Ridzoňová , M. Buryi

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Abstract

The luminescence properties of two co-doped ZnSe:(Cr, Fe) single crystals, grown by the Bridgman method, have been studied using photoluminescence techniques. Structural characterization by high-resolution X-ray diffraction (HR-XRD), electron paramagnetic resonance (EPR) and scanning electron microscopy (SEM) has revealed that the samples differ in terms of dopant concentration and intrinsic native defects. Analysis of the VIS and near-IR photoluminescence spectra, based on the modified crystal field theory and DFT calculations has shown that Fe and Cr exist in two charge states (+2/+3) and can be located in both tetrahedral and octahedral positions. In the blue light region, quantum dots (QDs) appear. These represent clusters of three Cr-containing octahedral complexes accompanied by Zn vacancies, anticipating the formation of spinel ZnCr₂Se₄ inclusions in the host chalcogenide ZnSe matrix.

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掺杂铁和铬的 ZnSe 单晶的发光特性

利用光致发光技术研究了用Bridgman法生长的两种共掺杂ZnSe:（Cr, Fe）单晶的发光特性。通过高分辨率x射线衍射（HR-XRD）、电子顺磁共振（EPR）和扫描电镜（SEM）对样品进行了结构表征，发现样品在掺杂浓度和固有缺陷方面存在差异。基于修正晶体场理论和DFT计算的可见光和近红外光致发光光谱分析表明，Fe和Cr存在两种电荷态（+2/+3），可以定位在四面体和八面体位置。在蓝光区域，量子点（QDs）出现。这代表了三个含cr的八面体配合物簇，伴随着Zn空位，预示着在宿主硫系ZnSe基体中形成尖晶石ZnCr2Se4包裹体。

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