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The 4:5 Si-to-SiC atomic lattice matching interfaces in the system of Si(111) heteroepitaxially grown on 6H-SiC(001) substrates
Authors:Chen Yang  Zhiming Chen  Lianbi Li  Wenchang Li  Jichao Hu  Shenghuang Lin
Affiliation:1. College of Science, Civil Aviation University of China, Tianjin 300300, China;2. School of Electronics and Information Engineering, Tianjin Polytechnics University, Tianjin 300160, China;1. Department of Optical Science and Engineering, Fudan University, Shanghai 200433, China;2. Key Laboratory of Polar Materials and Devices, Ministry of Education, East China Normal University, Shanghai 200241, China;1. Centro de Investigaciones Ópticas CONICET La Plata CIC, Camino Centenario y 506 s/n M.B. Gonnet (1897), Pcia Buenos Aires, Argentina;2. Departamento de Física de Materiales, Facultad de Ciencias C4, Universidad Autónoma de Madrid, Campus de Cantoblanco, 28049 Madrid, Spain
Abstract:Corresponding lattice planes of 4:5 Si-to-SiC atomic matching structures are observed at the Si(111)/6H-SiC(001) interface. The periodical Si/SiC interface structure is further illustrated and characterized by an atomic model derived from experiment results. It is discovered that there is a minor lattice mismatch of 0.26% in the structure. Moreover, the atomic structure of the interface and its stability are energetically investigated by molecular dynamics simulations. The results demonstrate that the atomic relaxations caused by lattice mismatch are slight to the growth of a perfect crystalline Si film and the interfaces are quite stable with the formation energy of ?22.452 eV.
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