Volume 131, Number 3, August 2020
|Number of page(s)||6|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||26 August 2020|
Moderate bandgap and high carrier mobility simultaneously realized in bilayer silicene by oxidation
Department of Applied Physics, Nanjing University of Science and Technology - Nanjing 210094, China
Received: 18 May 2020
Accepted: 24 July 2020
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 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 full-oxidized bilayer silicene has many potential applications in modern electronic fields.
PACS: 71.20.Nr – Semiconductor compounds / 61.46.-w – Structure of nanoscale materials / 73.22.-f – Electronic structure of nanoscale materials and related systems
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