We study a class of topological materials which in their momentum-space band structure exhibit threefold degeneracies known as triple points. Focusing specifically on PT -symmetric crystalline solids with negligible spin-orbit coupling, we find that such triple points can be stabilized by little groups containing a three-, four-, or sixfold rotation axis, and we develop a classification of all possible triple points as type A vs type B according to the absence vs presence of attached nodal-line arcs. Furthermore, by employing the recently discovered non-Abelian band topology, we argue that a rotation-symmetry-breaking strain transforms type-A triple points into multiband nodal links. Although multiband nodal-line compositions were previously theoretically conceived and related to topological monopole charges, a practical condensed-matter platform for their manipulation and inspection has hitherto been missing. By reviewing the known triple-point materials with weak spin-orbit coupling and by performing first-principles calculations to predict new ones, we identify suitable candidates for the realization of multiband nodal links in applied strain. In particular, we report that an ideal compound to study this phenomenon is Li 2 NaN, in which the conversion of triple points to multiband nodal links facilitates a largely tunable density of states and optical conductivity with doping and strain, respectively.

No abstract

Triple nodal points are degeneracies of energy bands in momentum space at which three Hamiltonian eigenstates coalesce at a single eigenenergy. For spinless particles, the stability of a triple nodal point requires two ingredients: rotational symmetry of order three, four, or six; combined with mirror or space-time-inversion symmetry. However, despite ample studies of their classification, robust boundary signatures of triple nodal points have until now remained elusive. In this work, we first show that pairs of triple nodal points in semimetals and metals can be characterized by Stiefel-Whitney and Euler monopole invariants, of which the first one is known to facilitate higher-order topology. Motivated by this observation, we then combine symmetry indicators for corner charges and for the Stiefel-Whitney invariant in two dimensions with the classification of triple nodal points for spinless systems in three dimensions. The result is a complete higher-order bulk-boundary correspondence, where pairs of triple nodal points are characterized by fractional jumps of the hinge charge. We present minimal models of the various species of triple nodal points carrying higher-order topology, and illustrate the derived correspondence on Sc3AlC which becomes a higher-order triple-point metal in applied strain. The generalization to spinful systems, in particular to the WC-type triple-point material class, is briefly outlined.

We analyze triply degenerate nodal points [or triple points (TPs) for short] in energy bands of crystalline solids. Specifically, we focus on spinless band structures, i.e., when spin-orbit coupling is negligible, and consider TPs formed along high-symmetry lines in the momentum space by a crossing of three bands transforming according to a one-dimensional (1D) and a two-dimensional (2D) irreducible corepresentation (ICR) of the little cogroup. The result is a complete classification of such TPs in all magnetic space groups, including the nonsymmorphic ones, according to several characteristics of the nodal-line structure at and near the TP. We show that the classification of the presently studied TPs is exhausted by 13 magnetic point groups (MPGs) that can arise as the little cogroup of a high-symmetry line and which support both 1D and 2D spinless ICRs. For 10 of the identified MPGs, the TP characteristics are uniquely determined without further information; in contrast, for the 3 MPGs containing sixfold rotational symmetry, two types of TPs are possible, depending on the choice of the crossing ICRs. The classification result for each of the 13 MPGs is illustrated with first-principles calculations of a concrete material candidate.