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Metallic line defect in wide-bandgap transparent perovskite BaSnO3
Science Advances ( IF 11.7 ) Pub Date : 2021-01-15 , DOI: 10.1126/sciadv.abd4449
Hwanhui Yun 1 , Mehmet Topsakal 2 , Abhinav Prakash 1, 3, 4 , Bharat Jalan 1 , Jong Seok Jeong 1, 5 , Turan Birol 1 , K. Andre Mkhoyan 1
Affiliation  

A line defect with metallic characteristics has been found in optically transparent BaSnO3 perovskite thin films. The distinct atomic structure of the defect core, composed of Sn and O atoms, was visualized by atomic-resolution scanning transmission electron microscopy (STEM). When doped with La, dopants that replace Ba atoms preferentially segregate to specific crystallographic sites adjacent to the line defect. The electronic structure of the line defect probed in STEM with electron energy-loss spectroscopy was supported by ab initio theory, which indicates the presence of Fermi level–crossing electronic bands that originate from defect core atoms. These metallic line defects also act as electron sinks attracting additional negative charges in these wide-bandgap BaSnO3 films.



中文翻译:

带隙透明钙钛矿BaSnO3中的金属线缺陷

在光学透明的BaSnO 3钙钛矿薄膜中发现了具有金属特性的线缺陷。通过原子分辨率扫描透射电子显微镜(STEM)可以看到由Sn和O原子组成的缺陷核的独特原子结构。当掺入La时,取代Ba原子的掺杂剂优先偏析到与线缺陷相邻的特定晶体学位置。从头算理论支持在STEM中用电子能量损失谱仪探测的线缺陷的电子结构,该理论表明存在费米能级穿越电子带,该电子带源自缺陷核心原子。这些金属线缺陷还充当电子吸收器,在这些宽带隙BaSnO 3薄膜中吸引额外的负电荷。

更新日期:2021-01-15
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