Frontiers of Physics · 2022 · 19 citations · 50 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsTopologyDomain WallsElectron-phonon InteractionsElectronic Band StructureTopological MaterialsTopological Phases Of MatterDirac SemimetalsTopological Band StructureTopological Semimetallic PhasesTopological SemimetalsTopological Surface States
Dirac semimetals (DSMs) are an important class of topological states of matter. Here, focusing on DSMs of band inversion type, we investigate their boundary modes from the effective model perspective. We show that in order to properly capture the boundary modes, k-cubic terms must be included in the effective model, which would drive an evolution of surface degeneracy manifold from a nodal line to a nodal point. Sizable k-cubic terms are also needed for better exposing the topological hinge modes in the spectrum. Using first-principles calculations, we demonstrate that this feature and the topological hinge modes can be clearly exhibited in β-CuI. We extend the discussion to magnetic DSMs and show that the time-reversal symmetry breaking can gap out the surface bands and hence is beneficial for the experimental detection of hinge modes. Furthermore, we show that magnetic DSMs serve as a parent state for realizing multiple other higher-order topological phases, including higher-order Weyl-point/nodal-line semimetals and higher-order topological insulators.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
Natural Sciences, Chemistry, Physics +17