Impact of Broken Inversion Symmetry on Molecular States in multi-Weyl fermions

Abstract

We study inversion-symmetry (IS) breaking in impurity dimers coupled to topological multi-Weyl systems in the low-energy dispersion domain. In the IS-preserved multi-Weyl semimetal phase, Hubbard bands split into symmetric and antisymmetric molecular-like subbands. Breaking IS induces a transition to a multi-Weyl metal, lifting the degeneracy of the Weyl node and closing the pseudogap. This causes opposite energy shifts: valence-band symmetric (antisymmetric) subbands red- (blue-) shift, reversing in the conduction band until a degeneracy point. Beyond this threshold, symmetric bands flatten near band cutoffs, whereas antisymmetric bands form quasi-zero energy modes asymptotically approaching -- yet never crossing -- the Fermi level. Crucially, identical molecular symmetries maintain nondegeneracy even as energy separation vanishes with stronger IS breaking. Our results demonstrate symmetry-selective mechanisms for topological molecular states in multi-Weyl systems.

References in corpus (12)

• Discovery of Weyl fermion semimetals and topological Fermi arc states
• Weyl, Dirac and high-fold chiral fermions in topological quantum materials
• Anomalous thermoelectric phenomena in lattice models of multi-Weyl semimetals
• Role of topological charges in the nonlinear-optical response from Weyl semimetals
• Understanding the three-dimensional quantum Hall effect in generic multi-Weyl semimetals
• RKKY interaction of magnetic impurities in multi-Weyl semimetals
• Catching the Bound States in the Continuum of a Phantom Atom in Graphene
• Kondo screening regimes in multi-Dirac and Weyl systems
• Signatures of interfacial topological chiral modes via RKKY exchange interaction in Dirac and Weyl systems
• Topological charge Fano effect in multi-Weyl semimetals
• Signature of nodal topology in nonlinear quantum transport across junctions in Weyl and multi-Weyl semimetals
• Multi-Dirac and Weyl physics in heavy-fermion systems