npj Computational Materials · 2020 · 43 citations · 36 references
Natural SciencesPhysicsCondensed Matter PhysicsCrystal StructureSolid State PhysicsCrystal LatticeCrystal SymmetryCrystal SystemsElectron-phonon InteractionsElectronic Band StructureLattice SymmetryHexagonal Crystal LatticesHexagonal LatticesPhononsPhysical PropertiesRotational SymmetrySymmetriesSymmetry-protected Topological PhasesTrigonal Lattices
Abstract Exploring unconventional topological quasiparticles and their associated exotic physical properties has become a hot topic in condensed matter physics, thus stimulating extensive interest in recent years. Here, in contrast to the double-Weyl phonons (the topological chiral charge +2) in the trigonal and hexagonal crystal systems, we propose that the unconventional double-Weyl without counterparts in high-energy physics can emerge in the phonons of cubic structures, i.e., SrSi 2 . Employing a two-band k ⋅ p Hamiltonian, we prove that the quadratic double-Weyl nodes are protected by the fourfold screw rotational symmetry $${\tilde{C}}_{4}$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:msub> <mml:mrow> <mml:mover> <mml:mrow> <mml:mi>C</mml:mi> </mml:mrow> <mml:mrow> <mml:mo>̃</mml:mo> </mml:mrow> </mml:mover> </mml:mrow> <mml:mrow> <mml:mn>4</mml:mn> </mml:mrow> </mml:msub> </mml:math> . Strikingly, we find that the surface arcs are terminated with the Weyl nodes that possess unequal topological charges with opposite sign (i.e., +2 and −1), leading to unique three-terminal Weyl complex (one quadratic double-Weyl and two linear single-Weyl) with double surface arcs in SrSi 2 . In addition, we apply a uniaxial tensile strain along z -axis to examine the evolution of the three-terminal Weyl complex when the corresponding symmetries are broken. Our work not only provides an ideal candidate for the realization of the quadratic double-Weyl and the corresponding unique surface arc states, but also broadens the understanding of topological Weyl physics.
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