Unified quantum theory of elastic and inelastic atomic scattering from a physisorbed monolayer solid

Abstract

. Unified quantum theory of elastic and inelastic atomic scattering from a physisorbed monolayer solid. Physical Review B, 95(21), [214303]. DOI: 10.1103/PhysRevB.95.214303 PHYSICAL REVIEW B 95, 214303 (2017 Unified quantum theory of elastic and inelastic atomic scattering from a physisorbed monolayer solid A unified quantum theory of the elastic and inelastic scattering of low energy He atoms by a physisorbed monolayer solid in the one-phonon approximation is given. It uses a time-dependent wave packet with phonon creation and annihilation components and has a self-consistent feedback between the wave functions for elastic and inelastic scattered atoms. An attenuation of diffraction scattering by inelastic processes thus is inherent in the theory. The atomic motion and monolayer vibrations in the harmonic approximation are treated quantum mechanically and unitarity is preserved. The evaluation of specific one-phonon events includes contributions from diffuse inelastic scattering in other phonon modes. Effects of thermally excited phonons are included using a mean field approximation. The theory is applied to an incommensurate Xe/Pt(111) monolayer (incident energy E i = 4-16 meV), a commensurate Xe/graphite monolayer (E i 64 meV), and an incommensurate Xe/Cu(001) monolayer (E i 8 meV). The monolayers are very corrugated targets and there are transient closed diffraction and inelastic channels in the calculations. In many cases, the energy gain events have strengths comparable to the energy loss events.