论文标题
中等带隙和高载体迁移率同时通过氧化在双层硅中实现
Moderate bandgap and high carrier mobility simultaneously realized in bilayer silicene by oxidation
论文作者
论文摘要
半导体同时具有高载体移动性，中等带隙和环境环境稳定性对现代工业非常重要，而基于SI的半导体材料可以与以前基于硅的电子组件匹配。因此，由于如今缺乏，搜索基于SI的半导体是一个热门项目。在这里，在密度功能理论的帮助下，我们发现氧化的双层硅具有高载体迁移率，中等直接带隙为1.02 eV。高载流子的迁移率是由剩余的大PI键引起的，中等带隙是由悬挂的Si 3P键饱和而打开的。该样品起源于强Si-O和Si-Si键的形成，表现出强烈的热力学和动力学稳定性。我们的工作表明，氧化的双层硅在现代电子场中具有许多潜在的应用。
Semiconductors simultaneously possessing high carrier mobility, moderate bandgap, and ambient environment stability are so important for the 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 oxidized bilayer silicene exhibits high carrier mobility with a moderate direct bandgap of 1.02 eV. The high carrier mobility is caused by the remaining of big pi bond, and the moderate bandgap is opened by the saturation of dangling Si 3p 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 oxidized bilayer silicene has many potential applications in modern electronic fields.
