Surface and thin-film photoemission spectrum of nickel metal: A many-body solution to a two-dimensionally periodic cluster

Journal Article · Tue Aug 15 00:00:00 EDT 1989 · Physical Review (Section) B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.40.3560· OSTI ID:5684445

Chen, C; Falicov, L M ^[1]

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1. Department of Physics, University of California, Berkeley, California 94720 (US) Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720

An exact solution of a four-site crystal model with periodic boundary conditions, a {l brace}001{r brace} thin film with face-centered-cubic crystal structure, is presented for the nickel density of electron states, as would be measured in surface-sensitive valence-band photoemission. The object is to study modifications of the many-body electronic structure in the presence of surfaces. The model consists of (a) five {ital d} orbitals per site per spin, with nearest-neighbor hopping, (b) a one-electron occupation energy for each orbital, and (c) Coulomb repulsions between electrons on the same site. A realistic local-density-approximation one-electron structure and intrasite electron-electron interactions most generally allowed by atomic symmetry are used. Crystal-field effects and single-particle electronic structure in the nickel-film structure are discussed. The photoemission spectrum is calculated and compared with bulk results. Physical conclusions for the true nickel surface many-body states are drawn.

• DOE Contract Number: AC03-76SF00098
• OSTI ID: 5684445
• Journal Information: Physical Review (Section) B: Condensed Matter; (USA), Journal Name: Physical Review (Section) B: Condensed Matter; (USA) Vol. 40:6; ISSN PRBMD; ISSN 0163-1829
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
BAND THEORY
BOUNDARY CONDITIONS
COULOMB FIELD
CRYSTAL FIELD
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
D STATES
ELECTRIC FIELDS
ELECTRONIC STRUCTURE
ELEMENTS
EMISSION
ENERGY LEVELS
FCC LATTICES
FILMS
MAGNETIC PROPERTIES
METALS
NICKEL
PHOTOEMISSION
PHYSICAL PROPERTIES
SECONDARY EMISSION
SURFACE PROPERTIES
THIN FILMS
TRANSITION ELEMENTS
VALENCE