Strain Effects on Band Structure and Dirac Nodal-line Morphology of ZrSiSe

Abstract

The Dirac nodal-line semimetals (DNLS) are new promising materials for technological applications due to its exotic properties, which originate from band structures dispersion and nodal-line behavior. We report a study on effects of several possibilities of strains in ZrSiSe DNLS on band structure dispersion and nodal-line behavior through the means of the density functional theory (DFT) calculations. We found that the Dirac nodal-line of ZrSiSe is robust to all strain with reasonable magnitude. Although, there are significant changes in gap, amplitude, and energy relative to Fermi energy. We also found the effective strains to tune the nodal-line and band structures are equi-biaxial tensile, uniaxial (100) tensile, and uniaxial (110) tensile strain.

10 pages, 10 figures; Corrected formatting

References in corpus (5)

• Electric Field Effect in Atomically Thin Carbon Films
• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Temperature-Induced Lifshitz Transition and Possible Excitonic Instability in ZrSiSe
• Hofstadter butterfly and the quantum Hall effect in twisted double bilayer graphenes
• Chemical pressure effect on the optical conductivity of the nodal-line semimetals ZrSi$Y$ ($Y$=S, Se, Te) and ZrGe$Y$ ($Y$=S, Te)

Cited by in corpus (4)

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• Unveiling Novel Resonant Interband Contribution to Polarizability in three-dimensional systems