Topological Lifshitz transition in Weyl semimetal NbP decorated with heavy elements

Abstract

Studies of the Fermi surface modification after in-situ covering NbP semimetal with heavy elements Pb and Nb ultrathin layers were performed by means of angle-resolved photoemission spectroscopy (ARPES). First, the electronic structure was investigated for pristine single crystals with two possible terminations (P and Nb) of the (0 0 1) surface. The nature of the electronic states of these two cleaving planes is different: P-terminated surface shows spoon and bow tie shaped fingerprints, whereas these shapes are not present in Nb-terminated surfaces. ARPES studies show that even 1 monolayer (ML) of Pb causes topological quantum Lifshitz transition (TQLT) in P- and Nb-terminated surfaces. Deposited Pb 5d electrons have wide extended atomic orbitals which leads to strong hybridization with Pb-terminated surface and a corresponding shift in the Fermi energy. Nb has less capability to perturb the system than Pb because Nb has weaker spin-orbit coupling than Pb. Nb-terminated surface subjected to surface decoration with approximately 1.3 ML of Nb shows no dramatic modification in the Fermi surface. In the case of Nb decorated P-terminated surface, deposition of approximately 1 ML modifies the electronic structure of NbP and it is on the verge of TQLT. Despite the strong spin-orbit and strong hybridization of the heavy elements on the surface, it is possible to observe the TQLT of the surface states thanks to the robustness of the bulk topology.