论文标题
单层的大型Piezophotovoltaic效果$ 2H $ -MOS $ _2 $
Large Bulk Piezophotovoltaic Effect of Monolayer $2H$-MoS$_2$
论文作者
论文摘要
非中心对称材料中的大量光伏效应是一种有趣的物理现象，具有高效能量收集的潜力。在这里，我们研究了过渡金属二分法元素MOS $ _2 $中的移位电流大量光伏效应。我们提出了一种简单的自动化方法，用于指导材料设计并使用它来发现对单层$ 2H $ -MOS $ _2 $的失真，从而大大增强了集成转移电流。使用这种扭曲，我们表明在偏移矢量的分布的布里渊区重叠（在激发期间测量相干波包实际空间中的净位移的数量），并且过渡强度对于增加移位电流至关重要。失真模式与材料极化有关，可以通过匡威压电效应通过施加的电场实现。这一发现提出了一种额外的方法，可以设计材料对使用机械菌株增强先前报道的方法的偏移电流响应。
The bulk photovoltaic effect in noncentrosymmetric materials is an intriguing physical phenomenon that holds potential for high-efficiency energy harvesting. Here, we study the shift current bulk photovoltaic effect in the transition metal dichalcogenide MoS$_2$. We present a simple automated method to guide materials design and use it to uncover a distortion to monolayer $2H$-MoS$_2$ that dramatically enhances the integrated shift current. Using this distortion, we show that overlap in the Brillouin zone of the distributions of the shift vector (a quantity measuring the net displacement in real space of coherent wave packets during excitation) and the transition intensity is crucial for increasing the shift current. The distortion pattern is related to the material polarization and can be realized through an applied electric field via the converse piezoelectric effect. This finding suggests an additional method to engineer the shift current response of materials to augment previously reported methods using mechanical strain.
