Effect of Mechanical Strain on the Optical Properties of Nodal‐Line Semimetal ZrSiS,Advanced Electronic Materials

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Effect of Mechanical Strain on the Optical Properties of Nodal‐Line Semimetal ZrSiS
Advanced Electronic Materials ( IF 5.3 ) Pub Date : 2019-11-18 , DOI: 10.1002/aelm.201900860
Weiqing Zhou ₁ , Alexander N. Rudenko _{1,

2,

3} , Shengjun Yuan ₁

Affiliation

Optical properties of nodal‐line semimetal ZrSiS are studied using first‐principles calculations. Frequency‐independent optical conductivity is a fingerprint of the infrared optical response in ZrSiS. It is found that this characteristic feature is robust with respect to uniaxial compressive strain of up to 10 GPa, yet with the flat region being narrowed with increasing strain. Upon uniaxial tensile stress of 2 GPa, the Fermi surface undergoes a Lifshitz transition accompanied by a weakening of the interband screening, which reduces the spectral weight of infrared excitations. It is also shown that the high‐energy region is characterized by low‐loss plasma excitations at ≈20 eV with essentially anisotropic dispersion. Strongly anisotropic dielectric properties suggest the existence of a hyperbolic regime for plasmons in the deep ultraviolet range. Although the frequencies of high‐energy plasmons are virtually unaffected by external uniaxial deformation, their dispersion can be effectively tuned by strain.

中文翻译：

机械应变对节点线半金属ZrSiS光学性能的影响

使用第一性原理计算研究了节点线半金属ZrSiS的光学特性。与频率无关的光导率是ZrSiS中红外光响应的指纹。已经发现，该特征相对于高达10GPa的单轴压缩应变是稳健的，但是平坦区域随着应变的增加而变窄。在2 GPa的单轴拉伸应力下，费米表面会经历Lifshitz跃迁，同时带间屏蔽减弱，从而降低了红外激发的光谱权重。研究还表明，高能区的特征是在约20 eV的低损耗等离子体激发下具有基本上各向异性的色散。强烈的各向异性介电特性表明，深紫外范围内的等离激元存在双曲型态。

更新日期：2020-01-13

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