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Short-Range Order Tunes Optical Properties in Long-Range Disordered ZnSnN2–ZnO Alloy
Chemistry of Materials ( IF 7.2 ) Pub Date : 2022-04-29 , DOI: 10.1021/acs.chemmater.1c03938 Celeste L. Melamed 1, 2 , Moira K. Miller 1, 2 , Jacob Cordell 2, 3 , Linda Pucurimay 2, 4 , Alyssa Livingood 2, 5 , Rekha R. Schnepf 1, 2 , Jie Pan 6 , Karen N. Heinselman 2 , Fernando D. Vila 7 , Allison Mis 2, 8 , Dennis Nordlund 9 , Ben Levy-Wendt 7, 9, 10 , Stephan Lany 2 , Eric S. Toberer 1, 2 , Steven T. Christensen 2 , Adele C. Tamboli 2
Chemistry of Materials ( IF 7.2 ) Pub Date : 2022-04-29 , DOI: 10.1021/acs.chemmater.1c03938 Celeste L. Melamed 1, 2 , Moira K. Miller 1, 2 , Jacob Cordell 2, 3 , Linda Pucurimay 2, 4 , Alyssa Livingood 2, 5 , Rekha R. Schnepf 1, 2 , Jie Pan 6 , Karen N. Heinselman 2 , Fernando D. Vila 7 , Allison Mis 2, 8 , Dennis Nordlund 9 , Ben Levy-Wendt 7, 9, 10 , Stephan Lany 2 , Eric S. Toberer 1, 2 , Steven T. Christensen 2 , Adele C. Tamboli 2
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Local site ordering offers a new paradigm for property control in functional materials. However, systems that exhibit a propensity for local order and global disorder are often challenging to characterize, and demonstrations of ordering-induced property tuning are few and far between. Here, we demonstrate that short-range ordering tunes the optical absorption edge in the long-range disordered alloy system (ZnSnN2)1–x(ZnO)2x at x = 0.25. We use combinatorial cosputtering to synthesize a set of thin-film samples spanning this alloy space. X-ray diffraction demonstrates lattice contraction as a function of alloy composition, confirming that a mixed-anion and -cation alloy has been synthesized. Using N and O K-edge X-ray absorption near-edge structure in conjunction with simulations of cation-disordered supercell structures, we find that samples exhibit octet-rule-breaking motifs around both anions. Upon annealing at an alloy composition of x = 0.25, X-ray absorption analysis suggests that local motif structure shifts toward octet-rule-conserving while long-range disorder is maintained. Spectroscopic ellipsometry reveals that local ordering increases the absorption edge energy at constant composition. Additionally, alloy-induced optical absorption edge tuning is demonstrated. This work paves the way toward property tuning with short-range ordering in (ZnSnN2)1–x(ZnO)2x and beyond.
中文翻译：
短程有序调节长程无序 ZnSnN2–ZnO 合金的光学性质
本地现场订购为功能材料的性能控制提供了新的范例。然而，表现出局部有序和全局无序倾向的系统通常难以表征，并且有序诱导的属性调整的演示很少而且相距甚远。在这里，我们证明了短程有序调整了长程无序合金系统 (ZnSnN 2 ) 1– x (ZnO) 2 x在x处的光学吸收边缘= 0.25。我们使用组合共溅射来合成一组跨越该合金空间的薄膜样品。X 射线衍射表明晶格收缩是合金成分的函数，证实已合成了混合的阴离子和阳离子合金。使用 N 和 O K 边缘 X 射线吸收近边缘结构与阳离子无序超级胞结构的模拟相结合，我们发现样品在两个阴离子周围都表现出八位组规则破坏基序。以x的合金成分退火后= 0.25，X 射线吸收分析表明，局部基序结构向八位组规则守恒转变，同时保持长程无序。光谱椭偏仪表明，局部有序增加了恒定成分下的吸收边能量。此外，还展示了合金诱导的光学吸收边缘调谐。这项工作为 (ZnSnN 2 ) 1– x (ZnO) 2 x及以上范围内的短程排序的特性调整铺平了道路。
更新日期：2022-04-29
中文翻译：
短程有序调节长程无序 ZnSnN2–ZnO 合金的光学性质
本地现场订购为功能材料的性能控制提供了新的范例。然而，表现出局部有序和全局无序倾向的系统通常难以表征，并且有序诱导的属性调整的演示很少而且相距甚远。在这里，我们证明了短程有序调整了长程无序合金系统 (ZnSnN 2 ) 1– x (ZnO) 2 x在x处的光学吸收边缘= 0.25。我们使用组合共溅射来合成一组跨越该合金空间的薄膜样品。X 射线衍射表明晶格收缩是合金成分的函数，证实已合成了混合的阴离子和阳离子合金。使用 N 和 O K 边缘 X 射线吸收近边缘结构与阳离子无序超级胞结构的模拟相结合，我们发现样品在两个阴离子周围都表现出八位组规则破坏基序。以x的合金成分退火后= 0.25，X 射线吸收分析表明，局部基序结构向八位组规则守恒转变，同时保持长程无序。光谱椭偏仪表明，局部有序增加了恒定成分下的吸收边能量。此外，还展示了合金诱导的光学吸收边缘调谐。这项工作为 (ZnSnN 2 ) 1– x (ZnO) 2 x及以上范围内的短程排序的特性调整铺平了道路。
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