Abstract Indium gallium zinc oxides (IGZO) have been developed for thin-film transistor technologies. In this work, we analyze the fundamental properties of crystalline InGaZnO4, considering all possible Ga/Zn atomic distribution patterns. Using the hybrid Hartree-Fock density functional approach, the most stable configurations are identified. The simulations reveal that the considered configurations are indirect band-gap semiconductors with highly dispersive conduction bands (CB) and very flat valence bands (VB). Thereby, the electron effective masses are light, contrary to the heavy hole effective masses. This implies a good electron mobility and suppressed hole mobility, and consequently a low off-state current that minimizes the power consumption in future InGaZnO4-based transistors. Coexistence of different configurations is not an issue for InGaZnO4 since they all present very similar optoelectronic properties.

中文翻译：

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共存 InGaZnO4 结构的光电特性

摘要 铟镓锌氧化物 (IGZO) 已被开发用于薄膜晶体管技术。在这项工作中，我们分析了晶体 InGaZnO4 的基本特性，考虑了所有可能的 Ga/Zn 原子分布模式。使用混合 Hartree-Fock 密度泛函方法，可以确定最稳定的配置。模拟表明，所考虑的配置是具有高度色散导带 (CB) 和非常平坦的价带 (VB) 的间接带隙半导体。因此，与重空穴有效质量相反，电子有效质量是轻的。这意味着良好的电子迁移率和受抑制的空穴迁移率，以及因此在未来基于 InGaZnO4 的晶体管中最小化功耗的低断态电流。