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 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.
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7 January 2021
Research Article|
January 05 2021
Strain effects on band structure and Dirac nodal-line morphology of ZrSiSe
Special Collection:
Topological Materials and Devices
Bernardus Rendy
;
Bernardus Rendy
a)
1
Engineering Physics Department, Faculty of Industrial Technology, Institut Teknologi Bandung
, Bandung, West Java 40132, Indonesia
a)Author to whom correspondence should be addressed: bernardusrendy@students.itb.ac.id, bernardusrendy38@gmail.com
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Eddwi Hesky Hasdeo
Eddwi Hesky Hasdeo
b)
2
Research Center for Physics, Indonesian Institute of Sciences
, South Tangerang, Indonesia
3
Department of Physics and Material Science, University of Luxembourg
, L-1511 Luxembourg, Luxembourg
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a)Author to whom correspondence should be addressed: bernardusrendy@students.itb.ac.id, bernardusrendy38@gmail.com
b)
Electronic mail: eddw001@lipi.go.id
Note: This paper is part of the Special Topic on Topological Materials and Devices.
J. Appl. Phys. 129, 014306 (2021)
Article history
Received:
September 20 2020
Accepted:
December 11 2020
Citation
Bernardus Rendy, Eddwi Hesky Hasdeo; Strain effects on band structure and Dirac nodal-line morphology of ZrSiSe. J. Appl. Phys. 7 January 2021; 129 (1): 014306. https://doi.org/10.1063/5.0030200
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