0000000000858022
AUTHOR
F. Benkabou
Pressure Dependence of the Band Gaps and Charge Densities in Si
The empirical local and nonlocal pseudopotentials of Si which can describe the electronic energy structure over a wide energy range of more than 20 eV from the bottom of the valence band is determined for different pressures. The nonlocality of the potential is described by the Gaussian model. The predictions for the linear and quadratic pressure coefficients are consistent with the experiment. The valence charge densities of Si under high pressure are studied. The forbidden X-ray factor F(222) is very stable under pressure and changes by less than 3% under volume changes of the order of 5%.
Pressure Dependence of Positron Annihilation in Si
The pressure dependence of the electron-positron and the electron-electron momentum densities in silicon are studied. The observations that the electron-positron momentum density increases more rapidly with pressure than the electron-electron momentum density alone is explained in terms of increased positron penetration into the ion cores. The computational technique used here is based on the independent-particle model (IPM) coupled with the use of the electron pseudo-wave functions.