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First-principles investigations on MXene-blue phosphorene and MXene-MoS(2)transistors

机译：第一原理对Mxene-Blue磷烯和MXENE-MOS（2）晶体管的研究

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In the semiconductor industry, one of the most important steps in the development of electronic devices is the discovery of electrode materials that are suitable for ohmic contact. As a newly found type of 2D materials, MXenes have been explored as materials for use in field effect transistors (FETs) with promising performances, which urges for the underlying mechanisms to be understood. In this work, the behaviors of the 5-10 nm device models for monolayer blue phosphorene (BlueP) and MoS(2)with a MXene electrode are investigated usingab initioquantum transport simulations. Firstly, the interfacial properties of BlueP and MoS(2)in contact with M3C2T2(M = Ti, Zr, or Hf; T = F, OH, or O) MXene are studied. The results show that OH and some of the F functionalized MXenes form an n-type ohmic contact with BlueP or MoS2, while the O functionalized MXenes form a p-type ohmic contact with BlueP and MoS2. Accordingly, when the FET model is built with M3C2(OH)(2)electrodes, these FETs exhibit high on-currents due to the ohmic contacts with subthreshold swing between 100 similar to 200 mV/decade, and high on/off ratios up to 10(6)at a bias voltage of 0.5 V. Our results imply that a FET with a sub-10 nm channel length can satisfy the requirements of both high performance and low power logic applications. The results from this study indicate that MXenes may act as the appropriate electrode for high-performance BlueP and MoS2FETs, which may provide new clues to guide the application of various 2D materials in electronics.
机译：在半导体工业中，电子设备开发中最重要的步骤之一是适用于欧姆接触的电极材料的一个最重要的步骤。作为一种新发现的2D材料类型，MxENES已被探索为具有有前途的性能的场效应晶体管（FET）的材料，其促使潜在的机制被理解。在这项工作中，研究了单层蓝磷烯（BLUEP）和MOS（2）的5-10nm器件模型的行为，用initioquantum运输模拟研究。首先，研究了与M3C2T2（M = Ti，Zr或Hf; T = F，OH或O）mxene接触的BLUEP和MOS（2）的界面性质。结果表明，OH和一些F官能化Mxenes形成与BLUEP或MOS2的N型欧姆接触，而O官能化MxENes与BLUEP和MOS2形成p型欧姆接触。因此，当使用M3C2（OH）（2）电极构建FET模型时，由于与200mV /十年的100之间的亚阈值摆动，并且高于/截止比率，这些FET由于欧姆触点而呈现出高的电流。如图10（6）所示，偏置电压为0.5 V.我们的结果意味着具有Sub-10 NM通道长度的FET可以满足高性能和低功耗逻辑应用的要求。本研究的结果表明，MxENES可以充当高性能BLUEP和MOS2FET的适当电极，其可以提供新的线索，以指导各种2D材料在电子器件中的应用。

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