IMPROVEMENT OF THEORETICAL ACAR OF SEMICONDUCTORS INCLUDING HIGH MOMENTUM REGION

摘要

The theoretical ACAR of semiconductor has been studied by the pseudopotentaial method with a full inclusion of the core-orthogonalization terms. The ACAR is calculated from the 3D electron-positron pair momentum density, which is obtained using the Fourier-inversion formalism combined with the cubic harmonics expansion method. It is shown that the effect of the core-orthogonalization is responsible for the overall enhancement of the ACAR in the whole momentum region. This result is qualitatively different from the case of Compton profile in which the effect should be expected to reduce the profile in lower momentum region and enhance it in higher momentum region.