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Two-Dimensional IV–V Monolayers with Highly Anisotropic Carrier Mobility and Electric Transport Properties
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2021-01-20 , DOI: 10.1021/acs.jpclett.0c03656 Pengfei Li 1 , Wenjun Wu 2 , Yuehua Xu 2 , Jun Liu 1 , Shouliang Wu 1 , Yixing Ye 1 , Changhao Liang 1 , Xiao Cheng Zeng 3
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2021-01-20 , DOI: 10.1021/acs.jpclett.0c03656 Pengfei Li 1 , Wenjun Wu 2 , Yuehua Xu 2 , Jun Liu 1 , Shouliang Wu 1 , Yixing Ye 1 , Changhao Liang 1 , Xiao Cheng Zeng 3
Affiliation
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Two-dimensional (2D) semiconductors with anisotropic properties (e.g., mechanical, optical, and electric transport anisotropy) have long been sought in materials research, especially 2D semiconducting sheets with strong anisotropy in carrier mobility, e.g., n-type in one direction and p-type in another direction. Here, we report a comprehensive study of the carrier mobility and electric transport anisotropy of a class of 2D IV–V monolayers, XAs (X = Si or Ge), by using density functional theory methods coupled with deformation potential theory and non-equilibrium Green’s function method. We find that the polarity of room-temperature carrier mobility μ of the 2D XAs monolayer is highly dependent on the lattice direction. In particular, for the SiAs monolayer, the μ values of the electron (e) and hole (h) are 1.25 × 103 and 0.39 × 103 cm2 V–1 s–1, respectively, in the a direction and 0.31 × 103 and 1.12 × 103 cm2 V–1 s–1, respectively, for the b direction. The computed electric transport properties also show that the SiAs monolayer exhibits strong anisotropy in the biased voltage in the range of −1 to 1 V. In particular, the current reflects the ON state in the a direction but the OFF state in the b direction. In addition, we find that the uniaxial strain can significantly improve the electric transport performance and even lead to the negative differential conductance at 10% strain. The unique transport properties of the 2D XAs monolayers can be exploited for potential applications in nanoelectronics.
中文翻译：
具有高各向异性载流子迁移率和电传输特性的二维IV–V单层
在材料研究中，人们一直在寻求具有各向异性（例如机械，光学和电传输各向异性）的二维（2D）半导体，尤其是在载流子迁移率方面具有强各向异性（例如在一个方向上为n型）的二维半导体片。p-在另一个方向上输入。在这里，我们使用密度泛函理论方法，变形势能理论和非平衡格林理论，对一类二维IV–V单层XAs（X = Si或Ge）的载流子迁移率和电输运各向异性进行了全面研究。功能方法。我们发现2D XAs单层室温载流子迁移率μ的极性高度依赖于晶格方向。特别是对于SiAs单层，电子（e）和空穴（h）的μ值在a方向上分别为1.25×10 3和0.39×10 3 cm 2 V –1 s –1 10 3和1.12×10 3厘米b方向分别为2 V –1 s –1。计算出的电传输性质还表明，SiAs单层在-1V至1V范围内的偏置电压中表现出很强的各向异性。特别是，电流在a方向上反映了ON状态，而在b方向上反映了OFF状态。此外，我们发现单轴应变可以显着改善电传输性能，甚至导致10％应变时的负差分电导。二维XA单分子膜的独特传输特性可用于纳米电子学中的潜在应用。
更新日期：2021-01-28
中文翻译：
具有高各向异性载流子迁移率和电传输特性的二维IV–V单层
在材料研究中，人们一直在寻求具有各向异性（例如机械，光学和电传输各向异性）的二维（2D）半导体，尤其是在载流子迁移率方面具有强各向异性（例如在一个方向上为n型）的二维半导体片。p-在另一个方向上输入。在这里，我们使用密度泛函理论方法，变形势能理论和非平衡格林理论，对一类二维IV–V单层XAs（X = Si或Ge）的载流子迁移率和电输运各向异性进行了全面研究。功能方法。我们发现2D XAs单层室温载流子迁移率μ的极性高度依赖于晶格方向。特别是对于SiAs单层，电子（e）和空穴（h）的μ值在a方向上分别为1.25×10 3和0.39×10 3 cm 2 V –1 s –1 10 3和1.12×10 3厘米b方向分别为2 V –1 s –1。计算出的电传输性质还表明，SiAs单层在-1V至1V范围内的偏置电压中表现出很强的各向异性。特别是，电流在a方向上反映了ON状态，而在b方向上反映了OFF状态。此外，我们发现单轴应变可以显着改善电传输性能，甚至导致10％应变时的负差分电导。二维XA单分子膜的独特传输特性可用于纳米电子学中的潜在应用。
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