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DFT coupled with NEGF study of a promising two-dimensional channel material: black phosphorene-type GaTeCl

机译：有前途的DFT加上NEGF研究二维通道材料:黑色phosphorene-type GaTeCl

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A stable three-dimensional layered GaTeCl bulk counterpart is first known from experiment since 1980s. In this study, we propose a two-dimensional GaTeCl, the band structure of which has a tendency of intrinsic direct-to-indirect band gap transitions as a result of a decrease in the layer number, while the changes in the band gap value are minor. The GaTeCl monolayer possesses a wide indirect band gap of 3.06 eV and high hole mobility of up to 4710 cm(2) V-1 s(-1), which, intriguingly, can be converted into direct band-gap semiconductors under a slight tensile strain. The GaTeCl monolayer is calculated to have an ideal cleavage energy of about 32 meV per atom; therefore, the synthesis of GaTeCl monolayer through exfoliation of bulk GaTeCl is available. In this regard, we simulate a monolayer GaTeCl MOSFETs device based on first-principles method quantum transport approach. The underlying device performance could pave the way for it to be a promising candidate as a suitable FET channel material.
机译：一个稳定的三维分层GaTeCl散装总统以来首次从实验1980年代。二维GaTeCl,乐队的结构有内在的倾向直接到间接带隙作为的转换结果层数的减少,而带隙值的变化较小。GaTeCl单层具有宽间接乐队差距是3.06 eV和高的空穴迁移率4710厘米(2)与它们年代(1),有趣的是,转化为直接带隙半导体在一个轻微的拉伸应变。单层计算理想的乳沟约32兆电子伏能量原子;合成GaTeCl单层表皮脱落的大部分GaTeCl可用。模拟一个单层GaTeCl mosfet器件的基础在采用基于量子传输方法的方法。为这是一种很有前途的候选人作为一个合适的场效应晶体管通道材料。

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