Effect of mechanical strain on the optical properties of nodal-line semimetal ZrSiS

Abstract

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. We find 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. We also show that the high-energy region is characterized by low-loss plasma excitations at $\sim$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.

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• Strain Effects on Band Structure and Dirac Nodal-line Morphology of ZrSiSe
• NMR determination of Van Hove singularity and Lifshitz transitions in nodal-line semimetal ZrSiTe
• In-plane and out-of-plane optical response of the nodal-line semimetals ZrGeS and ZrGeSe
• Polarization-dependent excitons and plasmon activity in nodal-line semimetal ZrSiS
• Unveiling Novel Resonant Interband Contribution to Polarizability in three-dimensional systems