Type-III Weyl Semimetals: (TaSe4)2I

Abstract: Weyl semimetals have been classified into type-I and type-II with respect to the geometry of their Fermi surfaces at the Weyl points. Here, we propose a new class of Weyl semimetal, whose unique Fermi surface contains two electron or two hole pockets touching at a multi-Weyl point, dubbed as type-III Weyl semimetal. Based on first-principles calculations, we first show that quasi-one-dimensional compound (TaSe4)2I is a type-III Weyl semimetal with larger chiral charges. (TaSe4)2I can support four-fold helicoidal surface states with remarkably long Fermi arcs on the (001) surface. Angle-resolved photoemission spectroscopy measurements are in agreement with the gapless nature of (TaSe4)2I at room temperature and reveal its characteristic dispersion. In addition, our calculations show that external strain could induce topological phase transitions in (TaSe4)2I among the type-III, type-II, and type-I Weyl semimetals, accompanied with the Lifshitz transitions of the Fermi surfaces. Therefore, our work first experimentally indicates (TaSe4)2I as a type-III Weyl semimetal and provides a promising platform to further investigate the novel physics of type-III Weyl fermions.