Doppler broadening of annihilation radiation of some single-element materials from the second to the sixth periods

Kawasuso, Atsuo; Maekawa, Masaki; Betsuyaku, Kiyoshi*

Electron-positron momentum distribution obtained through the Doppler broadening of annihilation radiation measurement is very useful for identifying defects in materials. For the detailed analysis of Doppler broadening spectrum, precise theoretical calculation is needed. It is pointed out that the pseudo-potential method has a problem in the calculation of electron wavefunction near core region. To avoid this difficulty, some all-electron manner should be employed. We thus calculated the Doppler broadening spectra based on the electronic state calculation by the projector-augmented wave method and compared them with experimental spectra.