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. 2020 Jun 22;7(3):034304. doi: 10.1063/4.0000018

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© 2020 Author(s).

2329-7778/2020/7(3)/034304/15

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FIG. 11. — Dynamical LEED simulations. (a) Normalized intensity of the main lattice reflex (1 0) as a function of sulfur and tantalum displacement for an electron energy of 100 eV. Enhanced scattering of sulfur atoms results in a much stronger dependence on the sulfur atom displacements. (b) Normalized intensities of main lattice spots for electron energies of 80 and 100 eV as a function of the fraction of the maximum commensurate PLD amplitude. The diffraction reflexes split up into two spot groups. Light and dark blue curves coincide, respectively, due to the normal incidence of the electron beam. (c) LEED spectra (top) for both groups (light and dark blue) for vanishing (points) and finite (dash points) distortion. The percentage refers to the amplitude of the commensurate PLD in the low-temperature phase. The intensity ratio (bottom) illustrates the energy-dependent sensitivity between reflex groups.