SCF-X alpha-SW Cluster Molecular-Orbital Models of Catalysts, Alloys, Magnetic Materials, and Superconductors.

Abstract

Recent self-consistent-field Xalpha scattered-wave (SCF-Xalpha-SW) molecular orbital studies of the electronic structures, chemical bonding, and related (e.g. catalytic, magnetic, and superconducting) properties of metal and alloy clusters are reviewed, including results for: (1) Li clusters, (2) Cu, Ni, Pd, and Pt clusters, (3) relativistic contributions to cluster electronic structure, (4) the interaction of hydrogen with Ni, Pd, and Pt clusters, (5) metal-support (Pt-SiO2 and Ru-SiO2) interactions, (6) magnetism of Fe clusters, (7) cluster of models of transition-metal impurities and their magnetic properties in copper and aluminum hosts, (8) cluster models of intermetallic compounds and solid-solution alloys, (9) cluster models of amorphous alloys, and (10) cluster molecular-orbital models of superconductors. (Author)

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Document Details

Document Type
Technical Report
Publication Date
Nov 29, 1982
Accession Number
ADA122137

Entities

People

  • Keith H. Johnson

Organizations

  • Massachusetts Institute of Technology

Tags

DTIC Thesaurus Topics

  • Band Structures
  • Band Theory Of Solids
  • Coordination Complexes
  • Crystal Structure
  • Energy Bands
  • Energy Levels
  • Fermi Levels
  • Magnetic Materials
  • Magnetic Properties
  • Materials
  • Materials Science
  • Molecular Orbital Theory
  • Photoelectron Spectra
  • Solid State Physics
  • Spin-Orbit Interaction
  • Three Dimensional
  • Transition Metals

Fields of Study

  • Physics

Readers

  • Materials Science and Engineering.
  • Quantum Chemistry
  • Superconducting Magnet Technology

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene
  • Space