The electronic properties of van der Waals heterostructures composed of MoS${}_2$ and WS${}_2$ under a perpendicular electric field were studied in terms of field strength, electron doping concentration, and interlayer stacking arrangement based on the density functional theory. The calculation results showed that accumulated carrier distribution can be controlled by tuning the field direction, field strength, and doping concentration. The electron is localized on the MoS${}_2$ layer on the positively charged electrode side under a strong positive field with low doping concentration, whereas they are extended throughout both the MoS${}_2$ and WS${}_2$ layers under a strong negative field. Stacking misorientation between the layers further enhanced the electron localization under a positive field and delocalization under a strong negative field. The stacking arrangement and electric field allow additional tuning of the electronic properties of van der Waals heterostructures.

中文翻译：

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MoS2和WS2范德华异质结构中载流子分布的场致带边工程控制

MoS构成的Van der Waals异质结构的电子性质${}_2$ 和WS${}_2$基于密度泛函理论，研究了垂直电场作用下的场强，电子掺杂浓度和层间堆叠结构。计算结果表明，可以通过调节场方向，场强度和掺杂浓度来控制累积的载流子分布。电子位于MoS上${}_2$ 在低掺杂浓度的强正电场下位于带正电的电极侧的金属层，而它们在整个MoS中都延伸${}_2$ 和WS${}_2$层在强负电场下。层之间的堆叠取向差进一步增强了在正场下的电子定位和在强负场下的离域。堆叠结构和电场允许对范德华异质结构的电子性质进行附加调整。