Experimental electron momentum density of γ-Ce was measured at an intermediate resolution （0.38 a.u.） using 20 Ci 137Cs Compton spectrometer. The experiment was compared with the first ever theoretical Compton prof...Experimental electron momentum density of γ-Ce was measured at an intermediate resolution （0.38 a.u.） using 20 Ci 137Cs Compton spectrometer. The experiment was compared with the first ever theoretical Compton profiles computed using spin polarized relativistic Korringa-Kohn-Rostoker （SPR-KKR） method within atomic sphere approximation; and linear combination of atomic orbitals （LCAO） within generalised gradient approximation （GGA） and recently developed second order generalised gradient approximation （SOGGA）. It was seen that the Compton profile derived from LCAO with GGA and SOGGA schemes gave a reasonable agreement with the experimental Compton line shape. Theoretical anisotropies in Compton profiles derived along [100], [110] and [111] directions were explained in terms of degenerate states in the energy bands.展开更多
基金Project supported by CSIR, New Delhi (03(1157)/10/EMR-II)
文摘Experimental electron momentum density of γ-Ce was measured at an intermediate resolution （0.38 a.u.） using 20 Ci 137Cs Compton spectrometer. The experiment was compared with the first ever theoretical Compton profiles computed using spin polarized relativistic Korringa-Kohn-Rostoker （SPR-KKR） method within atomic sphere approximation; and linear combination of atomic orbitals （LCAO） within generalised gradient approximation （GGA） and recently developed second order generalised gradient approximation （SOGGA）. It was seen that the Compton profile derived from LCAO with GGA and SOGGA schemes gave a reasonable agreement with the experimental Compton line shape. Theoretical anisotropies in Compton profiles derived along [100], [110] and [111] directions were explained in terms of degenerate states in the energy bands.
