We present a method for substitutional p-type doping in monolayer (1L) and few-layer (FL) WS₂ using highly reactive nitrogen atoms. We demonstrate that the nitrogen-induced lattice distortion in atomically thin WS₂ is negligible due to its low kinetic energy. The electrical characteristics of 1L/FL WS₂ field-effect transistors (FETs) clearly show an n-channel to p-channel conversion with nitrogen incorporation. We investigate the defect formation energy and the origin of p-type conduction using first-principles calculations. We reveal that a defect state appears near the Fermi level, leading to a shallow acceptor level at 0.24 eV above the valence band maximum in nitrogen-doped 1L/FL WS₂. This doping strategy enables a substitutional p-type doping in intrinsically n-type 1L/FL transition metal dichalcogenides (TMDCs) with tunable control of dopants, offering a method for realizing complementary metal-oxide-semiconductor FETs and optoelectronic devices on 1L/FL TMDCs by overcoming one of the major limits of TMDCs, that is, their n-type unipolar conduction.

中文翻译：

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通过原子氮处理在单层/很少层WS ₂场效应晶体管中直接进行n到p型通道转换

我们提出了一种使用高反应性氮原子在单层（1L）和少层（FL）WS _2中进行替代p型掺杂的方法。我们证明了原子薄WS _2中氮诱导的晶格畸变由于其低动能而可以忽略不计。1L / FL WS ₂场效应晶体管（FET）的电气特性清楚地显示了掺入氮的N通道到P通道的转换。我们使用第一性原理研究缺陷形成能和p型传导的起源。我们发现缺陷状态出现在费米能级附近，导致在氮掺杂的1L / FL WS ₂的价带最大值以上0.24 eV处的浅受体能级。这种掺杂策略可通过对掺杂剂进行可调节的控制，在本质上为n型1L / FL过渡金属二硫化碳（TMDC）中进行替代性的p型掺杂，从而提供了一种在1L / FL TMDC上实现互补金属氧化物半导体FET和光电器件的方法通过克服TMDC的主要限制之一，即它们的n型单极传导。