Strain effects on band structure and Dirac nodal-line morphology of ZrSiSe
English
Bernardus, Rendy[Institute Teknologi Bandung > Engineering Physics]
Hasdeo, Eddwi Hesky[University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
[en] Dirac nodal line semimetals ; Strain ; First-principles calculation
[en] The Dirac nodal-line semimetals are new promising materials for technological applications due to their exotic properties, which originate from band structure dispersion and nodal-line behavior. We report strain effects on the band structure of ZrSiSe Dirac nodal-line semimetal through the density functional theory calculations. We found that the kz=0 Dirac nodal-line of ZrSiSe is robust to all strains under reasonable magnitude although there are significant changes in the band oscillation amplitude, bandgap, and band occupancy due to orbital interactions and the Fermi energy shift upon strains. We also found that the effective strains to tune the nodal-line and band structure are equi-biaxial tensile, uniaxial (100) tensile, and xz-plane shear strains.
[Institute Teknologi Bandung > Engineering Physics]
