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Impact of strain on the optical fingerprint of monolayer transition-metal dichalcogenides

机译：应变对单层过渡金属二卤化物光学指纹的影响

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摘要

Strain presents a straightforward tool to tune electronic properties of atomically thin nanomaterials that are highly sensitive to lattice deformations. While the influence of strain on the electronic band structure has been intensively studied, there are only a few works on its impact on optical properties of monolayer transition-metal dichalcogenides (TMDs). Combining microscopic theory based on Wannier and Bloch equations with nearest-neighbor tight-binding approximation, we present an analytical view on how uni- and biaxial strain influences the optical fingerprint of TMDs, including their excitonic binding energy, oscillator strength, optical selection rules, and the radiative broadening of excitonic resonances. We show that the impact of strain can be reduced to changes in the lattice structure (geometric effect) and in the orbital functions (overlap effect). In particular, we demonstrate that the valley-selective optical selection rule is softened in the case of uniaxial strain due to the introduced asymmetry in the lattice structure. Furthermore, we reveal a considerable increase of the radiative dephasing due to strain-induced changes in the optical matrix element and the excitonic wave functions.
机译：应变提供了一种简单的工具，可调节对晶格变形高度敏感的原子薄纳米材料的电子性能。尽管已经深入研究了应变对电子能带结构的影响，但关于应变对单层过渡金属二卤化二金属（TMDs）光学性质的影响的研究很少。将基于Wannier和Bloch方程的微观理论与最近邻紧密结合逼近相结合，我们给出了关于单轴和双轴应变如何影响TMD光学指纹的分析视图，包括其激子结合能，振荡器强度，光学选择规则，以及激子共振的辐射展宽。我们表明应变的影响可以减少到晶格结构（几何效应）和轨道函数（重叠效应）的变化。特别地，我们证明了由于晶格结构中引入的不对称性，在单轴应变的情况下，谷选择光学选择规则被软化了。此外，我们发现由于光学矩阵元素和激子波函数中的应变引起的变化，导致辐射相移的显着增加。

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  • 来源
    《Physical review》 |2017年第4期|045425.1-045425.7|共7页
  • 作者

    Maja Feierabend; Alexandre Morlet; Gunnar Berghauser; Ermin Malic;

  • 作者单位

    Chalmers University of Technology, Department of Physics, 412 96 Gothenburg, Sweden;

    Ecole Normale Suprieure de Cachan, Departement de Physique, 94230 Cachan, France;

    Chalmers University of Technology, Department of Physics, 412 96 Gothenburg, Sweden;

    Chalmers University of Technology, Department of Physics, 412 96 Gothenburg, Sweden;

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