Spectral electron momentum density calculation in graphite

摘要

The linear muffin-tin orbital method has been used to calculate energy-momentum distribution of valence electrons in graphite along major symmetry directions and as the spherical average over the irreducible wedge of the Brillouin zone. These data bridge the gap between existing band structure calculations and emerging electron momentum spectroscopy of solids. The calculation has been validated by comparison to the most accurate experimental data on the highly oriented laser annealed carbon films. 14 refs., 1 tab., 4 figs. (Atomindex citation 27:040110).