Theoretical Compton profiles of graphite and
- 15 May 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 33 (10) , 6619-6626
- https://doi.org/10.1103/physrevb.33.6619
Abstract
Within the impulse approximation, Compton profiles of graphite and for several symmetry directions are calculated using the wave functions obtained from pseudopotential local-density-functional calculations. Excellent agreement is found when the calculated profiles are compared with the experimental results. The intercalation effects were analyzed in the difference profile between these two materials.
Keywords
This publication has 35 references indexed in Scilit:
- Electron momentum distribution in graphite and lithium-intercalated graphitePhysical Review B, 1984
- The electronic structure of graphite from Compton profile measurementsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1984
- Calculation of the Compton profile of berylliumPhysical Review B, 1983
- Electronic properties of graphite: A unified theoretical studyPhysical Review B, 1982
- Self-consistent extended-muffin-tin orbital energy-band method: Application to LiPhysical Review B, 1982
- Pseudopotentials and Total Energy CalculationsPhysica Scripta, 1982
- Charge-Transfer and Non-Rigid-Band Effects in the Graphite Compound LiPhysical Review Letters, 1980
- Electron momentum distributions in graphite and diamond and carbon-carbon bondingPhysical Review B, 1974
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964