Lee, Joohwi Kang, Youngho Han, Seungwu Hwang, Cheol Seong Choi, Jung-Hae 2024-01-20T11:00:57Z 2024-01-20T11:00:57Z 2021-09-04 2013-12-16 0003-6951 https://pubs.kist.re.kr/handle/201004/127325 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. (C) 2013 AIP Publishing LLC. English AMER INST PHYSICS TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET THIN-FILMS OXIDE ZINC TRANSISTORS STABILITY SYSTEM GROWTH ZNO Ab initio study on the structural characteristics of amorphous Zn2SnO4 Article 10.1063/1.4850895 1 APPLIED PHYSICS LETTERS, v.103, no.25 APPLIED PHYSICS LETTERS 103 25 scie scopus 000329973800038 2-s2.0-84891427569 Physics, Applied Physics Article TOTAL-ENERGY CALCULATIONS WAVE BASIS-SET THIN-FILMS OXIDE ZINC TRANSISTORS STABILITY SYSTEM GROWTH ZNO Ab initio study structural characteristics amorphous Zn2SnO4