Determination of Compton profiles at solid surfaces from first-principles calculations

Details Determination of Compton profiles at solid surfaces from first-principles calculations Determination of Compton profiles at solid surfaces from first-principles calculations

2006-10-16

arxiv.org/abs/cond-mat/0610429v1

Physics

Condensed Matter

Other Condensed Matter

13 pages, 5 figures, submitted to PRB

Scientific paper

10.1103/PhysRevB.75.014303

Projected momentum distributions of electrons, i.e. Compton profiles above the topmost atomic layer have recently become experimentally accessible by kinetic electron emission in grazing-incidence scattering of atoms at atomically flat single crystal metal surfaces. Sub-threshold emission by slow projectiles was shown to be sensitive to high-momentum components of the local Compton profile near the surface. We present a method to extract momentum distribution, Compton profiles, and Wigner and Husimi phase space distributions from ab-initio density-functional calculations of electronic structure. An application for such distributions to scattering experiments is discussed.

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