Compton profiles of NiO and TiO<sub>2</sub> obtained from first principles GWA spectral function

Compton profiles of NiO and TiO₂ obtained from first principles GWA spectral function

Khidzir S M^†,, Halid M F M, Wan Abdullah W A T

A comparison between ground state (LDA) and excited state (GWA) momentum density (in units of e/a.u.) along [001] (panels (a) and (c)) and [101] (panels (b) and (d)) for NiO and [111] and [100] for TiO₂. Low momentum densities show a large higher momentum. The most significant change is at the k-point below the Fermi momentum on the x axis (in units of a.u.).