2 research outputs found
Full potential LAPW calculation of electron momentum density and related properties of Li
Electron momentum density and Compton profiles in Lithium along , and directions are calculated using Full-Potential Linear
Augmented Plane Wave basis within generalized gradient approximation. The
profiles have been corrected for correlations with Lam-Platzman formulation
using self-consistent charge density. The first and second derivatives of
Compton profiles are studied to investigate the Fermi surface breaks. Decent
agreement is observed between recent experimental and our calculated values.
Our values for the derivatives are found to be in better agreement with
experiments than earlier theoretical results. Two-photon momentum density and
one- and two-dimensional angular correlation of positron annihilation radiation
are also calculated within the same formalism and including the
electron-positron enhancement factor.Comment: 11 pages, 7 figures TO appear in Physical Review