Positron Affinities and Deformation Potentials in Cubic Semiconductors

Positron affinities and deformation potentials are calculated in cubic bulk semiconductors using the density functional theory with the electron and positron energies in the local density approximation and generalized gradient approximation, respectively.In order to estimate these quantities, two different forms of the electron-positron correlation potential are used.Positron affinities calculated using these two correlation potentials differ by about 0.3 eV.Our calculated affinities in 3C-SiC are in better agreement with experiments than those obtained previously by another first principles method.In the present work the positron affinity in BN is found to be quite close to the one in diamond.