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Abstract Dirac and Weyl semimetals both exhibit arc-like surface states. However, whereas the surface Fermi arcs in Weyl semimetals are topological consequences of the Weyl points themselves, the surface Fermi arcs in Dirac semimetals are not directly related to the bulk Dirac points, raising the question of whether there exists a topological bulk-boundary correspondence for Dirac semimetals. In this work, we discover that strong and fragile topological Dirac semimetals exhibit one-dimensional (1D) higher-order hinge Fermi arcs (HOFAs) as universal, direct consequences of their bulk 3D Dirac points. To predict HOFAs coexisting with topological surface states in solid-state Dirac semimetals, we introduce and layer a spinful model of ans–d-hybridized quadrupole insulator (QI). We develop a rigorous nested Jackiw–Rebbi formulation of QIs and HOFA states. Employing ab initio calculations, we demonstrate HOFAs in both the room- (α) and intermediate-temperature (α″) phases of Cd3As2, KMgBi, and rutile-structure ($$ \beta ^{\prime} $$ -) PtO2.
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Emerging Weyl Semimetal States in Ternary TaP x As 1− x Alloys: Insights from Electronic and Topological Analysis
Abstract This study presents a thorough analysis of the electronic structures of the TaPxAs1−xseries of compounds, which are of significant interest due to their potential as topological materials. Using a combination of first principles and Wannier‐based tight‐binding methods, this study investigates both the bulk and surface electronic structures of the compounds for varying compositions (x = 0, 0.25, 0.50, 0.75, 1), with a focus on their topological properties. By using chirality analysis, (111) surface electronic structure analysis, and surface Fermi arcs analysis, it is established that the TaPxAs1−xcompounds exhibit topologically nontrivial behavior, characterized as Weyl semimetals (WSMs). The effect of spin–orbit coupling (SOC) on the topological properties of the compounds is further studied. In the absence of SOC, the compounds exhibit linearly dispersive fourfold degenerate points in the first Brillouin zone (FBZ) resembling Dirac semimetals. However, the introduction of SOC induces a phase transition to WSM states, with the number and position of Weyl points (WPs) varying depending on the composition of the alloy. For example, TaP has 12 WPs in the FBZ. The findings provide novel insights into the electronic properties of TaPxAs1−xcompounds and their potential implications for the development of topological materials for various technological applications.
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- Award ID(s):
- 2110603
- PAR ID:
- 10411424
- Publisher / Repository:
- Wiley Blackwell (John Wiley & Sons)
- Date Published:
- Journal Name:
- Advanced Quantum Technologies
- Volume:
- 6
- Issue:
- 7
- ISSN:
- 2511-9044
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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