单层
电介质
氧化物
异质结
材料科学
带偏移量
半导体
纳米技术
石墨烯
工程物理
光电子学
带隙
物理
价带
冶金
作者
Yue Hu,Jingwen Jiang,Peng Zhang,Zhuang Ma,Fuxin Guan,Da Li,Zhengfang Qian,Xiuwen Zhang,Pu Huang
标识
DOI:10.1038/s41467-023-42312-4
摘要
During the last two decades, two-dimensional (2D) materials have been the focus of condensed matter physics and material science due to their promising fundamental properties and (opto-)electronic applications. However, high-κ 2D dielectrics that can be integrated within 2D devices are often missing. Here, we propose nonlayered oxide monolayers with calculated exfoliation energy as low as 0.39 J/m2 stemming from the ionic feature of the metal oxide bonds. We predict 51 easily or potentially exfoliable oxide monolayers, including metals and insulators/semiconductors, with intriguing physical properties such as ultra-high κ values, negative Poisson's ratios and large valley spin splitting. Among them, the most promising dielectric, GeO2, exhibits an auxetic effect, a κ value of 99, and forms type-I heterostructures with MoSe2 and HfSe2, with a band offset of ~1 eV. Our study opens the way for designing nonlayered 2D oxides, offering a platform for studying the rich physics in ultra-thin oxides and their potential applications in future information technologies.
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