Surface magnetism in an exactly soluble many-body periodic-cluster model of bcc iron
- Department of Physics, University of Oregon, Eugene, Oregon 97403 (US) Department of Physics, University of California, Berkeley, California 94720 Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, California 94720
An exact solution of a two-dimensionally periodic two-site cluster, a {l brace}001{r brace} two-layer thin film with body-centered-cubic (bcc) crystal structure, is presented for iron. The purpose is to study the surface magnetism of bcc iron in a full many-body approach. The model consists of five {ital d} orbitals per site per spin, with interatomic hopping terms, a one-electron occupation energy for each orbital, and an on-site Coulomb interaction of the fullest generality allowed by atomic symmetry. A realistic local-density-approximation single-particle electronic structure is used. Crystal-field effects in the iron-film structure are discussed. The many-body energy-level spectrum and thermodynamic averages of energy and spin of the system are calculated. The physical picture for the enhancement of magnetization at the true iron surface is discussed.
- OSTI ID:
- 6965734
- Journal Information:
- Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 41:3; ISSN 0163-1829; ISSN PRBMD
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360104* -- Metals & Alloys-- Physical Properties
BCC LATTICES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ELEMENTS
FILMS
HAMILTONIANS
IRON
MAGNETIC PROPERTIES
MANY-BODY PROBLEM
MATHEMATICAL OPERATORS
METALS
NUMERICAL SOLUTION
PHYSICAL PROPERTIES
QUANTUM OPERATORS
SURFACE PROPERTIES
THIN FILMS
TRANSITION ELEMENTS