Semiconductors simultaneously possessing high carrier mobility, moderate bandgap, and ambient environment stability are so important to modern industry, and Si-based semiconducting materials can match well with the previous silicon-based electronic components. Thus, searching for such Si-based semiconductors has been one hot project due to the lack of them nowadays. Here, with the help of density functional theory, we found that the full-oxidized bilayer silicene exhibits high carrier mobility with a moderate direct bandgap of 1.02 eV. The high carrier mobility is derived from the remaining of big π bond, and the moderate bandgap is opened by the saturation of dangling Si 3 p bonds. Originated from the formation of strong Si-O and Si-Si bonds, the sample exhibits strong thermodynamic and dynamical stabilities. Our work indicates that the full-oxidized bilayer silicene has many potential applications in modern electronic fields.

中文翻译：

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通过氧化同时在双层硅中实现适度的带隙和高载流子迁移率

同时具有高载流子迁移率，适度的带隙和周围环境稳定性的半导体对现代工业非常重要，而基于硅的半导体材料可以与以前的基于硅的电子组件很好地匹配。因此，由于如今缺乏基于硅的半导体，寻找它们已经是一个热门项目。在这里，借助密度泛函理论，我们发现全氧化的双层硅具有较高的载流子迁移率，中度直接带隙为1.02 eV。高的载流子迁移率来自大的π键的剩余部分，而适度的带隙因悬空的Si 3 p键的饱和而打开。由于形成了牢固的Si-O和Si-Si键，该样品具有很强的热力学和动力学稳定性。