Evidence of Quantum Motion of Hydrogen on Pd(111) in He-Diffraction data

Abstract

ABSTRACTWe present elastic He-beam scattering data of the Pd(111)/H system. Diffraction intensities were measured as a function of surface temperature in the range 140°K–320°K. Two remarkable features are observed : the first is the presence of C3v symmetry at (1 × 1) saturation coverage (140°K) and its transformation to C6v symmetry at lower coverages (270°K). The second feature is the anomalous attenuation of the specular He beam accompanying this transformation. Taken together these features provide strong evidence of a fundamental change in the surface charge density corrugation. A classical interpretation of the motion of hydrogen either fails to reproduce the measured attenuation or leads to contradictory and unphysical conclusions regarding the H-metal bond length or surface equilibrium. An alternative quantum mechanical interpretation is developed and is shown to provide consistent and satisfactory explanation of the measurements.