Abstract
The zero band gap and air instability seriously of silicene limit its application in logic devices. By introducing the group VI elements, the band gap and stability of silicene will be adjusted. In this research, we propose a new two-dimensional material, Si2S. Si2S has excellent dynamic stability and thermal stability. AIMD simulations show that Si2S can maintain structural integrity at a temperature of 600 K. Si2S has an indirect band gap of 1.93 eV. The indirect band gap can be transformed into a direct band gap under the uniaxial strain along x direction or biaxial strain. The calculated carrier mobility of Si2S is anisotropic and the highest carrier mobility of Si2S is 182.72 cm2 V−1 S−1. The band gap and carrier mobility of Si2S are comparable with that of monolayer MoS2, which makes it promising to be used in the field of nanoelectronics.
Subject
General Physics and Astronomy
Reference9 articles.
1. Massive Dirac quasiparticles in the optical absorbance of graphene, silicene, germanene, and tinene;Matthes;J. Phys.: Condens. Matter,2013
2. Quantum spin Hall effect in silicene and two-dimensional germanium;Liu;Phys. Rev. Lett,2011
3. A New Family of Two-Dimensional Crystals: Open-Framework T3X (T = C, Si, Ge, Sn; X = O, S, Se, Te) Compounds with Tetrahedral Bonding;Chae;Nano Lett,2019
4. Ground state structure and physical properties of silicon monoxide sheet;Chen;Appl. Surf. Sci,2020
5. First principles simulation: ideas, illustrations and the CASTEP code;Segall;J. Phys.: Condens. Matter,2002