Fig. 2: Relativistic effects for the Pb monomer and dimers on IrTe2.
a, d, g STM topography images, b, e, h, i dI/dV maps, and c, f, j STS spectra for a Pb monomer, a 2a0-spaced dimer, and a \(\sqrt{3}\)a0-spaced dimer, respectively. The dI/dV maps were obtained at the peak positions of STS spectra marked by the inverted black triangles. The corresponding theoretical results are presented in k–v. k, p, s Atomic structures, l–n, q, t, u charge density plots, and o, r, v projected density of states (DOS) for a Pb monomer on the IrTe2-(5 × 5) supercell, a 2a0-spaced dimer, and a \(\sqrt{3}\)a0-spaced dimer, respectively. Gray, orange, and green balls in atomic structures represent Pb, Te, and Ir atoms, respectively. Charge densities were obtained for the peak energies of the DOS, three peaks for a monomer, the lowest-energy peak (top and side view) for a 2a0-spaced dimer, and the two lowest-energy peaks for a \(\sqrt{3}\)a0-spaced dimer. w DFT energy level at Γ point of a Pb monomer and dimers on IrTe2-(5 × 5) without and with spin–orbit coupling (SOC). For better comparison with experiments, the Fermi level of the Pb/IrTe2 surface is shifted down by 0.7 eV. Relative adsorption energy per Pb atom of x a Pb dimer on IrTe2-(7 × 7) as a function of Pb–Pb distance and y various Pb molecules with a Pb–Pb distance of 2a0. The adsorption energy of isolated Pb atom set to zero. Blue and red data denote the cases without and with SOC, respectively.
