Topological surface states and Fermi arcs of the noncentrosymmetric Weyl semimetals TaAs, TaP, NbAs, and NbP

Very recently the topological Weyl semimetal (WSM) state was predicted in the noncentrosymmetric compounds TaAs, TaP, NbAs, and NbP and soon led to photoemission and transport experiments to verify the presumed topological properties such as Fermi arcs (unclosed Fermi surfaces) and the chiral anomaly. In this work, we have performed fully \textit{ab initio} calculations of the surface band structures of these four WSM materials and revealed the Fermi arcs with spin-momentum-locked spin texture. On the (001) polar surface, the shape of the Fermi surface depends sensitively on the surface terminations (cations or anions), although they exhibit the same topology with arcs. The anion (P or As) terminated surfaces are found to fit recent photoemission measurements well. Such surface potential dependence indicates that the shape of the Fermi surface can be manipulated by depositing guest species (such as K atoms), as we demonstrate. On the polar surface of a WSM without inversion symmetry, Rashba-type spin polarization naturally exists in the surface states and leads to strong spin texture. By tracing the spin polarization of the Fermi surface, we can also distinguish Fermi arcs from trivial Fermi circles. The four compounds NbP, NbAs, TaP, and TaAs present an increasing amplitude of spin-orbit coupling (SOC) in the band structure. By comparing their surface states, we reveal the evolution of topological Fermi arcs from the spin-degenerate Fermi circle to spin-split arcs when the SOC increases from zero to a finite value. Our work will help us understand the complicated surface states of WSMs and allow us to manipulate them, especially for future spin-revolved photoemission and transport experiments.Comment: This manuscript has been submitted to Physical Review B on 22 Jul. 201

Electron beams of cylindrically symmetric spin polarization

Cylindrically symmetric electron beams in spin polarization are reported for the first time. They are shown to be the eigen states of total angular momentum in the $z$ direction. But they are neither the eigen states of spin nor the eigen states of orbital angular momentum in that direction.Comment: 10 pages and 2 figure

Hidden type-II Weyl points in the Weyl semimetal NbP

As one of Weyl semimetals discovered recently, NbP exhibits two groups of Weyl points with one group lying inside the $k_z=0$ plane and the other group staying away from this plane. All Weyl points have been assumed to be type-I, for which the Fermi surface shrinks into a point as the Fermi energy crosses the Weyl point. In this work, we have revealed that the second group of Weyl points are actually type-II, which are found to be touching points between the electron and hole pockets in the Fermi surface. Corresponding Weyl cones are strongly tilted along a line approximately $17^\circ$ off the $k_z$ axis in the $k_x - k_z$ (or $k_y - k_z$) plane, violating the Lorentz symmetry but still giving rise to Fermi arcs on the surface. Therefore, NbP exhibits both type-I ($k_z=0$ plane) and type-II ($k_z \neq 0$ plane) Weyl points.Comment: 5 pages and 4 figure