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Influence of the effective layer thickness on the groundstate and excitonic properties of transition-metal dichalcogenide systems

机译:有效层厚度对地基和地基的影响   过渡金属二硫属化物系统的激子特性

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摘要

A self-consistent scheme for the calculations of the interacting groundstateand the near bandgap optical spectra of mono- and multilayertransition-metal-dichalcogenide systems is presented. The approach combines adielectric model for the Coulomb interaction potential in a multilayerenvironment, gap equations for the renormalized groundstate, and theDirac-Wannier-equation to determine the excitonic properties. To account forthe extension of the individual monolayers perpendicular to their basic plane,an effective thickness parameter in the Coulomb interaction potential isintroduced. Numerical evaluations for the example of MoS$_2$ show that theresulting finite size effects lead to significant modifications in the opticalspectra, reproducing the experimentally observed non hydrogenic features of theexcitonic resonance series. Applying the theory for multi-layer configurations,a consistent description of the near bandgap optical properties is obtained allthe way from monolayer to bulk. In addition to the well-known in-planeexcitons, also interlayer excitons occur in multilayer systems suggesting areinterpretation of experimental results obtained for bulk material.
机译:提出了一种计算单基和多层过渡金属二卤化物体系相互作用基态和近带隙光谱的自洽方案。该方法结合了多层环境中库仑相互作用势的电介质模型,重新归一化的基态的间隙方程以及Dirac-Wannier方程来确定激子性质。为了说明各个单层垂直于其基本平面的延伸,引入了库仑相互作用势中的有效厚度参数。以MoS $ _2 $为例的数值评估表明,所产生的有限尺寸效应导致光谱的显着改变,重现了实验观察到的激子共振系列的非氢特征。应用多层结构理论,从单层到整个过程都获得了对近带隙光学性质的一致描述。除了众所周知的平面内激子外,在多层系统中还出现了层间激子,表明对块状材料获得的实验结果的解释。

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