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Electronic and transport properties of TMDC planar superlattices: effective Hamiltonian approach
Physica Scripta ( IF 2.9 ) Pub Date : 2021-09-06 , DOI: 10.1088/1402-4896/ac2104
R Hashemi 1, 2 , S Shojaei 1, 2 , Zheng Liu 3
Affiliation  

We model and study the electronic and transport properties of a planar 2D superlattice (PSL) structure containing laterally arranged alternating ribbons of Transition Metal DiChalogenides (TMDC). Within governed effective Hamiltonian we derived adopted transfer matrix formalism to obtain dispersion relation and electronic band structure with wave functions, transmission probability and Fano spectrum. Surprisingly, spin orbit coupling has considerable opposite effects on valence bands shift in TMDC-PSL that is blue and red for k and k’ valleys, respectively. The amount of contribution of each ribbon determines the transmission spectrum and the transport feature. We observed that outside the band gap, the Fano factor changes from 1 to smaller values gradually, that indicates the ballistic transport. To give real aspect to our model, the effect of structural disorder and defect are addressed in details. Interestingly, we found that main gap is not dependent on structural disorder and electron incident angle. Our study presents an efficient way to control the key parameters in conductivity and band structure of TMDC-PSL in the view of optoelectronics applications.



中文翻译:

TMDC 平面超晶格的电子和输运特性:有效的哈密顿方法

我们对包含横向排列的过渡金属二卤化物 (TMDC) 交替带的平面 2D 超晶格 (PSL) 结构的电子和传输特性进行建模和研究。在受支配的有效哈密顿量中,我们推导出采用传递矩阵形式来获得具有波函数、传输概率和Fano谱的色散关系和电子能带结构。令人惊讶的是,自旋轨道耦合对 TMDC-PSL 中的价带偏移具有相当大的相反影响,其中 k 和 k' 谷分别为蓝色和红色。每个色带的贡献量决定了透射光谱和传输特征。我们观察到在带隙之外,Fano 因子从 1 逐渐变为较小的值,这表明弹道传输。为了给我们的模型提供真实的方面,详细介绍了结构紊乱和缺陷的影响。有趣的是,我们发现主间隙不依赖于结构无序和电子入射角。从光电应用的角度来看,我们的研究提出了一种有效的方法来控制 TMDC-PSL 的电导率和能带结构的关键参数。

更新日期:2021-09-06
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