Calculation of the angle-resolved photoemission from copper

Calculations of the angular photoemission from (100) and (111) copper have been made to explain the experimental data of Ilver and Nilsson, and to analyze the physical processes which produce these spectra. These one -step model calculations use low-energy-electron-diffraction (LEED) techniques to construct initial-and final-state wave functions properly matched at the surface. Inelastic scattering is included in the final state as in LEED. The wave functions and matrix elements are calculated exactly for a muffin-tin model with a planar gradual step between crystal and vacuum. Good agreement between theory and experiment is obtained. © 1979 The American Physical Society.