Ab initio study on the structural characteristics of amorphous Zn2SnO4
- Ab initio study on the structural characteristics of amorphous Zn2SnO4
- 이주휘; 강영호; 한승우; 황철성; 최정혜
- Ab initio study; structural characteristics; amorphous; Zn2SnO4
- Issue Date
- Applied physics letters
- VOL 103, NO 25, 252102-1-252102-5
- The structural characteristics of amorphous Zn2SnO4 were investigated using ab initio
calculations in comparison with its crystalline phase. By amorphization, both the coordination
number of Zn and the most probable bond length of Zn-O decreased, and the O-Zn-O angle
distribution became broader. Meanwhile, the coordination number of Sn was almost unchanged, and the reducing tendency in the most probable bond length of Sn-O as well as the extent of broadening in the O-Sn-O angles were less distinct. The significant changes in Zn-O bonds by
amorphization partly account for the higher crystallization temperature of Zn2SnO4 compared to its binary oxides.
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