![]() ![]() ![]() Computational study of metal contacts to monolayer transition-metal dichalcogenide semiconductors. Electronics based on two-dimensional materials. Our study not only provides insight into the ML BlueP–metal interfaces, but also helps in the design of ML BlueP devices.įiori, G. 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. ![]() 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. 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 has undergone metallization owing to strong interaction with five metals. 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. Potential ML BlueP devices often require direct contact with metal to enable the injection of carriers. Semiconducting monolayer (ML) blue phosphorene (BlueP) shares similar stability with ML black phosphorene (BP), and it has recently been grown on an Au surface. ![]()
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