Article (Scientific journals)
Strain effects on band structure and Dirac nodal-line morphology of ZrSiSe
Bernardus, Rendy; Hasdeo, Eddwi Hesky
2021In Journal of Applied Physics, 129 (1), p. 014306
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Keywords :
Dirac nodal line semimetals; Strain; First-principles calculation
Abstract :
[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.
Disciplines :
Physics
Author, co-author :
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)
External co-authors :
yes
Language :
English
Title :
Strain effects on band structure and Dirac nodal-line morphology of ZrSiSe
Publication date :
05 January 2021
Journal title :
Journal of Applied Physics
ISSN :
1089-7550
Publisher :
American Institute of Physics, Melville, United States - New York
Volume :
129
Issue :
1
Pages :
014306
Peer reviewed :
Peer Reviewed verified by ORBi
Focus Area :
Physics and Materials Science
Name of the research project :
11352881
Funders :
FNR - Fonds National de la Recherche [LU]
Available on ORBilu :
since 15 January 2021

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