Optical Response of MoTe2 and WTe2 Weyl Semimetals: Distinguishing between Bulk and Surface Contributions,Advanced Theory and Simulations

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Optical Response of MoTe2 and WTe2 Weyl Semimetals: Distinguishing between Bulk and Surface Contributions
Advanced Theory and Simulations ( IF 2.9 ) Pub Date : 2020-01-29 , DOI: 10.1002/adts.201900247
Adrian Popescu ₁ , Anna Pertsova ₂ , Alexander V. Balatsky _{2,

3} , Lilia M. Woods ₁

Affiliation

A first‐principles investigation of the optical response of the Weyl Semimetals

{MoTe}_{2}

and

{WTe}_{2}

is presented. The approach, based on combining two formulations, allows to both separate the intraband and interband parts of the optical conductivity and to distinguish between the bulk and surface contributions to the optical response. It is found that the response is truly anisotropic, with peaks that can be associated with interband transitions involving either bulk or surface states. The role of the relaxation time, and the relation of the calculated results with available experimental measurements, are also discussed. Furthermore, the approach reported is transferable to any system, topologically trivial or non‐trivial, thus addressing the long‐standing need for comprehensive characterization of the optical response.

中文翻译：

MoTe2和WTe2 Weyl半金属的光学响应：区分体和表面贡献

Weyl半金属的光学响应的第一性原理研究

{Te}_{2}

和

{威特}_{2}

被呈现。该方法基于两种配方的组合，既可以分离光导率的带内和带间部分，又可以区分对光响应的体积贡献和表面贡献。发现该响应确实是各向异性的，其峰值可能与涉及体态或表面态的带间跃迁相关。还讨论了弛豫时间的作用，以及计算结果与可用实验测量值之间的关系。此外，所报道的方法可以转移到任何系统上，无论是拓扑上是微不足道的还是非微不足道的，从而满足了对光学响应进行全面表征的长期需求。

更新日期：2020-03-04

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