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Two-dimensional hybrid layered materials: strain engineering on the band structure of MoS2/WSe2 hetero-multilayers

机译:二维混合分层材料:在MOS2 / WSE2杂多层的带结构上的应变工程

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摘要

In this paper, we report a comprehensive modeling and simulation study of constructing hybrid layered materials by alternately stacking MoS2 and WSe2 monolayers. Such hybrid MoS2/WSe2 hetero-multilayers exhibited direct bandgap semiconductor characteristics with bandgap energy (E-g) in a range of 0.45-0.55 eV at room temperature, very attractive for optoelectronics (wavelength range 2.5-2.75 mu m) based on thicker two-dimensional (2D) materials. It was also found that the interlayer distance has a significant impact on the electronic properties of the hetero-multilayers, for example a five orders of magnitude change in the conductance was observed. Three material phases, direct bandgap semiconductor, indirect bandgap semiconductor, and metal were observed in MoS2/WSe2 hetero-multilayers, as the interlayer distance decreased from its relaxed (i.e., equilibrium) value of about 6.73 angstrom down to 5.50 angstrom, representing a vertical pressure of about 0.8 GPa for the bilayer and 1.5 GPa for the trilayer. Such new hybrid layered materials are very interesting for future nanoelectronic pressure sensor and nanophotonic applications. This study describes a new approach to explore and engineer the construction and application of tunable 2D semiconductors.
机译:在本文中,我们通过交替堆叠MOS2和WSE2单层构建混合分层材料的综合建模和仿真研究。这种混合MOS2 / WSE2杂多层具有在室温下的带隙能量(例如)的带隙能量(例如)的直接带隙半导体特性,基于较厚的二维,光电子(波长范围2.5-2.75μm)非常有吸引力(2D)材料。还发现层间距离对异质多层的电子性质具有显着影响,例如观察到导电的五个数量级变化。在MOS2 / WSE2杂多层中观察到三个材料相,直接带隙半导体,间接带隙半导体和金属,因为中间距离从其放松(即,平衡)值下降到5.50埃的宽度(即,平衡)值下降到5.50埃,代表垂直用于双层的大约0.8GPa的压力和三层器的1.5GPa。这种新的混合分层材料对于未来纳米电子压力传感器和纳米光电应用非常有趣。本研究描述了一种探索和工程师的建造和应用可调谐2D半导体的新方法。

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