Ab initio study on the structural characteristics of amorphous Zn2SnO4

Title
Ab initio study on the structural characteristics of amorphous Zn2SnO4
Authors
이주휘강영호한승우황철성최정혜
Keywords
Ab initio study; structural characteristics; amorphous; Zn2SnO4
Issue Date
2013-12
Publisher
Applied physics letters
Citation
VOL 103, NO 25, 252102-1-252102-5
Abstract
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.
URI
http://pubs.kist.re.kr/handle/201004/46979
ISSN
00036951
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KIST Publication > Article
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