Ideal Spin-Orbit-Free Dirac Semimetal and Diverse Topological Transitions in PrCoGa Family
arXiv:2401.13930 · doi:10.1038/s43246-024-00635-9
Abstract
Topological semimetals, known for their intriguing properties arising from band degeneracies, have garnered significant attention. However, the discovery of a material realization and the detailed characterization of spinless Dirac semimetals have not yet been accomplished. Here, we propose from first-principles calculations that the group ( = rare earth elements, = Al, Ga, or In) contains ideal spinless Dirac semimetals whose Fermi surfaces are fourfold degenerate band-crossing points (without including spin degeneracy). Despite the lack of space inversion symmetry in these materials, Dirac points are formed on the rotation-symmetry axis due to accidental degeneracies of two bands corresponding to different 2-dimensional irreducible representations of group. We also investigate, through first-principles calculations and effective model analysis, various phase transitions caused by lattice distortion or elemental substitutions from the Dirac semimetal phase to distinct topological semimetallic phases such as nonmagnetic linked-nodal-line and Weyl semimetals (characterized by the second Stiefel-Whitney class) and ferromagnetic Weyl semimetals.
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