Manipulating Dirac States in BaNiS2 by Surface Charge Doping

Nano Lett. 2023 Mar 8;23(5):1830-1835. doi: 10.1021/acs.nanolett.2c04701. Epub 2023 Jan 18.

Abstract

In the Dirac semimetal BaNiS2, the Dirac nodes are located along the Γ-M symmetry line of the Brillouin zone, instead of being pinned at fixed high-symmetry points. We take advantage of this peculiar feature to demonstrate the possibility of moving the Dirac bands along the Γ-M symmetry line in reciprocal space by varying the concentration of K atoms adsorbed onto the surface of cleaved BaNiS2 single crystals. By means of first-principles calculations, we give a full account of this observation by considering the effect of the electrons donated by the K atom on the charge transfer gap, which establishes a promising tool for engineering Dirac states at surfaces, interfaces, and heterostructures.

Keywords: BaNiS2; Dirac materials; charge transfer gap; surface electron doping; time-resolved ARPES.