COMPTON PROFILES OF SI - PSEUDOPOTENTIAL CALCULATION AND RECONSTRUCTION EFFECTS

Using an ab initio pseudopotential calculation, we compute Compton pro files of silicon along the (100), (110), and (111) directions, and the n reconstruct the pseudo-wave-functions to regain the oscillatory beha vior of the all-electron valence wave functions near the atomic cores. We study the effect that this reconstruction has on the Compton profi les and their anisotropies. We find a decrease in the magnitude of the profiles at small wave vectors and in their anisotropies. These chang es bring the theoretical predictions closer to experimental results.