Theory of valence-band Auger line shapes: Ideal Si(111), (100), and (110)

Journal Article · Tue Feb 15 04:00:00 EST 1977 · Phys. Rev., B; (United States)

DOI:https://doi.org/10.1103/PhysRevB.15.2202· OSTI ID:7330837

Feibelman, P J; McGuire, E J; Pandey, K C

We report independent-electron model calculations of the L/sub 2/,/sub 3/VV and L/sub 1/L/sub 2/, /sub 3/V Auger line shapes for ideal Si(111), (100), and (110) surfaces and compare the results to data of Houston, Lagally, and Moore. For the L/sub 2/, /sub 3/VV transitions, agreement between experiment and theory is excellent, in contrast to poor agreement between experiment and the self-fold of the occupied Si density of states; this result shows that matrix-element angular momentum dependence and not many-electron effects cause the latter discrepancy. For the L/sub 1/L/sub 2/, /sub 3/V lines our calculated results are less satisfactory. We suggest that the disagreement between theory and data for these ''Coster--Kronig'' transitions is due to the difficulty of calculating accurate Auger matrix elements at low energies and, perhaps, to the use of ''ideal'' (i.e., unreconstructed) surface geometries in modeling actual Si surfaces.

• Research Organization: Sandia Laboratories, Albuquerque, New Mexico 87115
• OSTI ID: 7330837
• Journal Information: Phys. Rev., B; (United States), Journal Name: Phys. Rev., B; (United States) Vol. 15:4; ISSN PLRBA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
640302 -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
AUGER EFFECT
ELEMENTS
ENERGY-LEVEL DENSITY
LEVEL WIDTHS
MATRIX ELEMENTS
SEMIMETALS
SILICON
VALENCE