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Two-dimensional van der Waals Heterostructure of Indium Selenide/ Hexagonal Boron Nitride with Strong Interlayer Coupling
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2020-04-02 , DOI: 10.1016/j.cplett.2020.137430
Nai-feng Shen , Xiao-dong Yang , Xin-xin Wang , Guang-hou Wang , Jian-guo Wan

Indium selenide (InSe) is a promising two-dimensional photodetector material. However, band-gap and work-function of low-dimension InSe are too large to act as photodetector devices. Here, we design InSe-based vdWs heterostructure, InSe/hBN (hexagonal boron nitride), using first-principles. InSe/hBN possesses rather low work-function (∼3.0 eV) compared with that of isolated InSe monolayer due to strong interlayer coupling. Besides, strong interlayer coupling induces extra emerging states, markedly reducing band-gap of InSe/hBN. Meanwhile, these emerging states ensure red-shift of optical absorption, from infrared to ultraviolet light-harvesting. Moreover, different heterostructure stacking mode doesn’t affect optical absorption and electron emission, convenient to the application of optoelectronics.



中文翻译:

强夹层耦合的硒化铟/六方氮化硼的二维范德华异质结构

硒化铟(InSe)是一种很有前途的二维光电探测器材料。但是,低尺寸InSe的带隙和功函太大,无法用作光电探测器。在这里,我们使用第一原理设计基于InSe的vdWs异质结构InSe / hBN(六方氮化硼)。与强势的层间耦合相比,与分离的InSe单层相比,InSe / hBN具有相当低的功函数(约3.0 eV)。此外,强的层间耦合会诱发额外的新兴态,从而显着降低InSe / hBN的带隙。同时,这些新兴状态确保了光吸收的红移,从红外光收集到紫外光收集。而且,不同的异质结构堆叠方式不会影响光吸收和电子发射,便于光电应用。

更新日期:2020-04-03
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