无定形固体
材料科学
薄膜
电子结构
从头算
凝聚态物理
从头算量子化学方法
衍射
分析化学(期刊)
结晶学
化学
光学
纳米技术
分子
物理
色谱法
有机化学
作者
Joohwi Lee,Deok–Yong Cho,Jisim Jung,Un Ki Kim,Sang Ho Rha,Cheol Seong Hwang,Jung‐Hae Choi
摘要
The influence of structural disorder on the electronic structure of amorphous ZnSnO3 was examined by ab-initio calculations. The calculation results are compared with the experimental results using as-deposited and annealed ZnSnO3 films grown by atomic layer deposition. The O K-edge X-ray absorption spectroscopy, X-ray diffraction, and thin-film transistors were employed in the experiment. The conduction band minima of amorphous and crystalline ZnSnO3 mainly consisted of Sn 5s state, while a higher non-uniform localization of these states was observed in the amorphous phase compared with the crystalline counterpart. The experimental results coincide well with the theoretical results.
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