Song Zhigang, Sun Xiaotian, Wang Linwang
Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States.
College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function- Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, P.R. China.
J Phys Chem Lett. 2020 Nov 5;11(21):9224-9229. doi: 10.1021/acs.jpclett.0c02400. Epub 2020 Oct 16.
Most moiré pattern structures are constructed by twisting the angle of two similar 2D materials. The corresponding electronic structures are fixed in device applications. Here we study moiré patterns constructed with monolayers of InSe and ferroelectric InSe. The ferroelectricity of InSe induces deep electron trap states and allows the switch of moiré pattern by an applied electric field. Using a unique linear scaling computational method, we systematically studied the electronic structures, localized state sizes, and strong correlation effects of switchable moiré patterns of systems containing close to 10 000 atoms.
大多数莫尔条纹结构是通过扭转两种相似二维材料的角度构建而成的。相应的电子结构在器件应用中是固定的。在此,我们研究由单层InSe和铁电InSe构建的莫尔条纹。InSe的铁电性会诱导出深电子陷阱态,并允许通过施加电场来切换莫尔条纹。我们使用一种独特的线性标度计算方法,系统地研究了包含近10000个原子的系统中可切换莫尔条纹的电子结构、局域态尺寸和强关联效应。