Semiconducting monolayer (ML) blue phosphorene (BlueP) shares similar stability with ML black phosphorene (BP), and it has recently been grown on an Au surface. Potential ML BlueP devices often require direct contact with metal to enable the injection of carriers. Using ab initio electronic structure calculations and quantum transport simulations, for the first time, we perform a systematic study of the interfacial properties of ML BlueP in contact with metals spanning a wide work function range in a field effect transistor (FET) configuration. ML BlueP has undergone metallization owing to strong interaction with five metals. There is a strong Fermi level pinning (FLP) in the ML BlueP FETs due to the metal-induced gap states (MIGS) with a pinning factor of 0.42. ML BlueP forms n-type Schottky contact with Sc, Ag, and Pt electrodes with electron Schottky barrier heights (SBHs) of 0.22, 0.22, and 0.80 eV, respectively, and p-type Schottky contact with Au and Pd electrodes with hole SBHs of 0.61 and 0.79 eV, respectively. The MIGS are eliminated by inserting graphene between ML BlueP and the metal electrode, accompanied by a transition from a strong FLP to a weak FLP. Our study not only provides insight into the ML BlueP–metal interfaces, but also helps in the design of ML BlueP devices.

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半导体单层（ML）蓝色磷光体（BlueP）与ML黑色磷光体（BP）具有相似的稳定性，并且最近已在Au表面上生长。潜在的ML BlueP设备通常需要与金属直接接触才能注入载体。使用从头电子结构计算和量子传输模拟，我们首次对ML BlueP与场效应晶体管（FET）配置中跨较大功函数范围的金属接触的界面特性进行了系统的研究。ML BlueP由于与五种金属的强相互作用而经历了金属化。ML BlueP FET中有很强的费米能级固定（FLP），这是由于金属感应的间隙态（MIGS）的固定因子为0.42。ML BlueP与电子，肖特基势垒高度（SBHs）分别为0.22、0.22和0.80 eV的Sc，Ag和Pt电极形成n型肖特基接触，并与空穴SBHs为的Au和Pd电极形成p型肖特基接触。分别为0.61和0.79 eV。通过在ML BlueP和金属电极之间插入石墨烯来消除MIGS，伴随着从强FLP到弱FLP的过渡。我们的研究不仅提供对ML BlueP-metal接口的深入了解，而且还有助于ML BlueP设备的设计。

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