Determining the structure of Ru(0001) from low-energy electron diffraction of a single terrace

While a perfect hcp (0001) surface has three-fold symmetry, the diffraction patterns commonly obtained are six-fold symmetric. This apparent change in symmetry occurs because on a stepped surface, the atomic layers on adjacent terraces are rotated by 180 degrees. Here we use a Low-Energy Electron Microscope to acquire the three-fold diffraction pattern from a single hcp Ru terrace and measure the intensity-vs-energy curves for several diffracted beams. By means of multiple scattering calculations fitted to the experimental data with a Pendry R-factor of 0.077, we find that the surface is contracted by 3.5(±0.9)% at 456 K.