Spin point group symmetry and classification of non-relativistic spin splitting in non-collinear magnetic structures: Identification of high-order spin splitting types (l=5,7, and 9)

Abstract: A comprehensive study of the possible types of non-relativistic spin splitting of electronic bands in coplanar and non-coplanar magnetic structures is presented on the basis of spin-group theory. First, we tabulate all non-equivalent spin point groups (SpPGs) which can be expressed as a direct product of a nontrivial part and a spin-only group limited to be the intrinsic (trivial) one, or augmented by the time-reversal (TR) operation. This tabulation, which includes the listing of symmetry operations for 1249 nonequivalent SpPGs, is now available as an online database SPGENPOS in the Bilbao Crystallographic Server (BCS). This extends previous enumerations, in which the possible presence of TR in the magnetic point group was not taken into account, thus overlooking the full SpPG symmetry associated with the numerous magnetic structures which have a magnetic space group of type IV. For each of the listed coplanar and non-coplanar SpPGs, the spin-splitting that is symmetry allowed is analyzed in detail using the program STENSOR also in the BCS. Except for the SpPGs that include the operation 1', i.e., the combined operation of TR and space inversion, all other coplanar and non-coplanar SpPGs allow spin splitting at some order in a power expansion of the electron wave vector components. We find that, depending on the SpPG, spin-splitting terms can appear with the lowest-order monomials ranging from l=0 to 9, with the exception of l=8. This contrasts with the collinear case, where the lowest order is not higher than l=6, and where TR forbids any spin splitting. For the newly identified spin textures with powers l=5, 7, and 9, which are possible in some noncentrosymmetric SpPGs, the functional form of the spin splitting in terms of the components of the crystal momentum is given. One example of a real material, LaMnAu5, showing l=5 spin splitting is identified.