Controlling spin-orbit coupling to tailor type-II Dirac bands

NiTe2, a type-II Dirac semimetal with strongly tilted Dirac band, has been explored extensively to understand its intriguing topological properties. Here, using density-functional theory (DFT) calculations, we report that the strength of spin-orbit coupling (SOC) in NiTe2 can be tuned by Se substitu...

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Bibliographic Details
Published in:arXiv.org 2023-10
Main Authors: Lam, Nguyen Huu, Phuong Lien Nguyen, Choi, Byoung Ki, Trinh Thi Ly, Duvjir, Ganbat, Rhee, Tae Gyu, Yong Jin Jo, Kim, Tae Heon, Jozwiak, Chris, Bostwick, Aaron, Rotenberg, Eli, Hwang, Younghun, Young Jun Chang, Lee, Jaekwang, Kim, Jungdae
Format: Article
Language:English
Subjects:
Density functional theory
Fermions
Photoelectric emission
Spin-orbit interactions
Substitutes
Topology
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Summary:NiTe2, a type-II Dirac semimetal with strongly tilted Dirac band, has been explored extensively to understand its intriguing topological properties. Here, using density-functional theory (DFT) calculations, we report that the strength of spin-orbit coupling (SOC) in NiTe2 can be tuned by Se substitution. This results in negative shifts of the bulk Dirac point (BDP) while preserving the type-II Dirac band. Indeed, combined studies using scanning tunneling spectroscopy (STS) and angle-resolved photoemission spectroscopy (ARPES) confirm that the BDP in the NiTe2-xSex alloy moves from +0.1 eV (NiTe2) to -0.3 eV (NiTeSe) depending on the Se concentrations, indicating the effective tunability of type-II Dirac fermions. Our results demonstrate an approach to tailor the type-II Dirac band in NiTe2 by controlling the SOC strength via chalcogen substitution. This approach can be applicable to different types of topological materials.
ISSN:2331-8422
DOI:10.48550/arxiv.2310.14202