Amorphous oxide semiconductors (AOSs)—ternary or quaternary oxides of post‐transition metals such as In‐Sn‐O, Zn‐Sn‐O, or In‐Ga‐Zn‐O—have been known for a decade and have attracted a great deal of attention as they possess several technological advantages, including low‐temperature large‐area deposition, mechanical flexibility, smooth surfaces, and high carrier mobility that is an order of magnitude larger than that of amorphous silicon (a‐Si:H). Compared to their crystalline counterparts, the structure of AOSs is extremely sensitive to deposition conditions, stoichiometry, and composition, giving rise to a wide range of tunable optical and electrical properties. The large parameter space and the resulting complex deposition–structure–property relationships in AOSs make the currently available theoretical and experimental research data rather scattered and the design of new materials difficult. In this work, the key properties of several In‐based AOSs are studied as a function of cooling rates, oxygen stoichiometry, cation composition, or lattice strain. Based on a thorough comparison of the results of ab initio modeling, comprehensive structural analysis, accurate property calculations, and systematic experimental measurements, a four‐dimensional parameter space for AOSs is derived, serving as a solid foundation for property optimization in known AOSs and for design of next‐generation transparent amorphous semiconductors.

中文翻译：

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了解非晶氧化物半导体的结构和性能的最新进展

非晶氧化物半导体（AOS）-过渡金属（例如In-Sn-O，Zn-Sn-O或In-Ga-Zn-O）的三元或四元氧化物已广为人知，并且吸引了极大的关注它们具有多种技术优势，因此值得关注，包括低温大面积沉积，机械柔韧性，光滑的表面以及高的载流子迁移率，该迁移率比非晶硅（a-Si：H）高一个数量级。与它们的结晶对应物相比，AOS的结构对沉积条件，化学计量和组成极为敏感，从而产生了广泛的可调光学和电学性质。AOS中较大的参数空间以及由此产生的复杂的沉积-结构-性能关系使得当前可用的理论和实验研究数据相当分散，新材料的设计也很困难。在这项工作中，研究了几种基于In的AOS的关键特性，它们是冷却速率，氧化学计量比，阳离子组成或晶格应变的函数。在从头算建模，全面的结构分析，准确的属性计算和系统的实验测量结果的全面比较的基础上，得出了AOS的四维参数空间，为已知AOS和AOS中的属性优化奠定了坚实的基础。下一代透明非晶半导体的设计。研究了几种基于In的AOS的关键特性，它们是冷却速率，氧化学计量比，阳离子组成或晶格应变的函数。在从头算建模，全面的结构分析，准确的属性计算和系统的实验测量结果的全面比较的基础上，得出了AOS的四维参数空间，为已知AOS和AOS中的属性优化奠定了坚实的基础。下一代透明非晶半导体的设计。研究了几种基于In的AOS的关键特性，它们是冷却速率，氧化学计量比，阳离子组成或晶格应变的函数。通过对从头算建模，全面的结构分析，准确的属性计算和系统的实验测量结果进行全面比较，得出了AOS的四维参数空间，为已知AOS和AOS中的属性优化奠定了坚实的基础。下一代透明非晶半导体的设计。