No abstract available

[en] On the basis of ab initio first principles and using the Minimal Hopping Algorithm we predict the crystal structure of non synthesized LiYZ (Y=Au,Ag, Z=Te,Se) based ternary compounds. We find that, as distinct from expectation, the crystal structure depends strongly on the composition, thus every compound belongs to a different symmetry group and has complexly different electronic properties. We analyze the fundamental physics below these features considering the calculated ground state structure.

[en] Weyl fermions are expected to exhibit exotic physical properties such as the chiral anomaly, large negative magnetoresistance or Fermi arcs. Recently a new platform to realize these fermions has been introduced based on the appearance of a three-fold band crossing at high symmetry points of certain space groups. These band crossings are composed of two linearly dispersed bands that are topologically protected by a Chern number, and a flat band with no topological charge. In this paper, we present a new way of inducing two kinds of Weyl fermions, based on two- and three-fold band crossings, in the non-symmorphic magnetic material PtFeSb. By means of density functional theory calculations and group theory analysis, we show that magnetic order can split a six-fold degeneracy enforced by non-symmoprhic symmetry to create three- or two-fold degenerate Weyl nodes. We also report on the synthesis of a related phase potentially containing two-fold degenerate magnetic Weyl points and extend our group theory analysis to that phase. This is the first study showing that magnetic ordering has the potential to generate new three-fold degenerate Weyl nodes, advancing the understanding of magnetic interactions in topological materials.

No abstract available