title: Structural properties of liquid SiC during rapid solidification.
abstract: The rapid solidification of liquid silicon carbide (SiC) is studied by molecular dynamic simulation using the Tersoff potential. The structural properties of liquid and amorphous SiC are analyzed by the radial distribution function, angular distribution function, coordination number, and visualization technology. Results show that both heteronuclear and homonuclear bonds exist and no atomic segregation occurs during solidification. The bond angles of silicon and carbon atoms are distributed at around 109° and 120°, respectively, and the average coordination number is <4. Threefold carbon atoms and fourfold silicon atoms are linked together by six typical structures and ultimately form a random network of amorphous structure. The simulated results help understand the structural properties of liquid and amorphous SiC, as well as other similar semiconductor alloys.
authors.affiliation: Institute of New Type Optoelectronic Materials and Technology, School of Electronic Information, Guizhou University, Guiyang 550025, China ; College of Electronic and Information Engineering, Anshun University, Anshun 561000, China.
authors.forename: WanJun
authors.initials: W
authors.lastname: Yan
authors.forename: TingHong
authors.initials: T
authors.lastname: Gao
authors.forename: XiaoTian
authors.initials: X
authors.lastname: Guo
authors.forename: YunXiang
authors.initials: Y
authors.lastname: Qin
authors.forename: Quan
authors.initials: Q
authors.lastname: Xie
mesh_terms: D017554:Carbon Compounds, Inorganic / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D044367:Phase Transition; D017655:Silicon Compounds / Q000737:chemistry*
chemical_list: D017554:Carbon Compounds, Inorganic; D017655:Silicon Compounds; C022088:silicon carbide