论文标题
通过硫空位调整单层WS2和MOS2中的电导率类型
Tuning Conductivity Type in Monolayer WS2 and MoS2 by Sulfur Vacancies
论文作者
论文摘要
尽管N型半导体行为似乎在做准备的二维（2D）过渡金属二核苷（TMDC）中更为常见，但通常需要与受体原子的替代掺杂剂量来调整P型的电导率以促进其在不同设备中的潜在应用。在这里，我们通过研究WS2-AU和MOS2-AU触点的界面相互作用，报告了单硫空位（V1）在单层WS2和MOS2中的等效电“掺杂”效应的系统研究。根据我们的第一原理计算，我们发现V1可以显着改变单层WS2和MOS2的半导体行为，以便它们可以在与金接触时表现出电子受体（P-Type）以及电子供体（N-TYPE）的特征。对于相对较低的V1密度（MOS2约7％，WS2 <3％），单层TMDC用作电子受体。随着V1S密度的增加，MOS2和WS2起着电子供体的作用。 V1对单层WS2和MOS2的显着影响可能对设计其电气行为有用，并提供了一种调整半导体TMDC的替代方法，以表现出N型或P型行为。
While n-type semiconductor behavior appears to be more common in as-prepared two-dimensional (2D) transition metal dichalcogenides (TMDCs), substitutional doping with acceptor atoms is typically required to tune the conductivity to p-type in order to facilitate their potential application in different devices. Here, we report a systematic study on the equivalent electrical "doping" effect of - single sulfur vacancies (V1S) in monolayer WS2 and MoS2 by studying the interface interaction of WS2-Au and MoS2-Au contacts. Based on our first principles calculations, we found that the V1S can significantly alter the semiconductor behavior of both monolayer WS2 and MoS2 so that they can exhibit the character of electron acceptor (p-type) as well as electron donor (n-type) when they are contacted with gold. For relatively low V1S densities (approximately < 7% for MoS2 and < 3% for WS2), the monolayer TMDC serves as electron acceptor. As the V1S density increases beyond the threshold densities, the MoS2 and WS2 play the role of electron donor. The significant impact V1S can have on monolayer WS2 and MoS2 may be useful for engineering its electrical behavior and offers an alternative way to tune the semiconductor TMDCs to exhibit either n-type or p-type behavior.
