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Anisotropic basic electronic properties of strained black phosphorene
Physica E: Low-dimensional Systems and Nanostructures ( IF 2.9 ) Pub Date : 2020-06-30 , DOI: 10.1016/j.physe.2020.114323
Mohsen Yarmohammadi , Mohammad Mortezaei , Kavoos Mirabbaszadeh

The gap modulation is an intriguing feature of the single-layer black phosphorene (BP) in optoelectronics. In this paper, the uniaxial and biaxial strain effects are systematically investigated to tailor the band gap, Fermi velocity, and effective mass along both armchair (AC) and zigzag (ZZ) directions in BP. The tight-binding model and the Harrison rule propose the electronic phase transitions. In the presence of uniaxial strains, in-plane strains keep the semiconducting phase, while the semiconductor-to-insulator and semiconductor-to-semimetal phase transitions emerge for biaxial strains. Although the anisotropic Fermi velocity introduces critical strains for which the concavity inversion occurs, Fermi velocity increases (decreases) with in-plane (out-of-plane) strain along the AC direction, while it remains constant along the ZZ direction. Further, we found that the heavy (light)-effective mass is related to the ZZ (AC) direction. Moreover, both in-plane and out-of-plane strains lead to effective mass sign-changing due to the concavity inversion of bands. Additionally, the heaviest effective masses are dedicated to critical strains corresponding to the phase transitions after which the concavity inversion of bands emerges. Our results propose interesting information for the strain tuning of electronic properties in BP.



中文翻译:

黑色磷black的各向异性基本电子性质

间隙调制是光电子学中单层黑色磷(BP)的一个吸引人的特征。在本文中,系统地研究了单轴和双轴应变效应,以沿着BP的扶手椅(AC)和之字形(ZZ)方向调整带隙,费米速度和有效质量。紧束缚模型和哈里森法则提出了电子相变。在存在单轴应变的情况下,面内应变保持半导体相,而对于双轴应变则出现半导体到绝缘体和半导体到半金属的相变。尽管各向异性费米速度会引入会发生凹面反转的临界应变,但费米速度会随着沿AC方向的面内(平面外)应变而增加(减小),而沿ZZ方向则保持不变。此外,我们发现重(轻)有效质量与ZZ(AC)方向有关。而且,由于带的凹面反转,面内和面外应变均导致有效的质量符号改变。另外,最重的有效质量专用于与相变相对应的临界应变,此后出现带的凹面反转。我们的研究结果为BP电子特性的应变调节提供了有趣的信息。最重的有效质量专用于与相变相对应的临界应变,此后会出现能带的凹陷反转。我们的研究结果为BP电子特性的应变调节提供了有趣的信息。最重的有效质量专用于与相变相对应的临界应变,此后会出现能带的凹陷反转。我们的研究结果为BP电子特性的应变调节提供了有趣的信息。

更新日期:2020-07-02
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