Theory of Small Metal Clusters, Films, and Wires

Abstract

The proposed work for this period was directed at the analysis of the effective Coulomb U* for metal clusters with a student and the generalization to transition-metal systems of our theory of Coulomb effects in f-shell metals. The study of U* for clusters was completed, and pursuit of the problem further did not seem warranted. The initial generalization of the theory of Coulomb effects was also completed and applied to the experiments by Ulrich Gradmann and coworkers in Clausthal, Germany. That theory is being published together with the experiment. These calculations explain an increase in moment for atoms at surfaces, steps, or kinks in steps on metal surfaces. The theory was then generalized, with the inclusion of exchange as well as the Coulomb repulsion, and the evaluation of the total energy. The aim was determination of the nature of the ground state localized or nonlocalized and the number of occupied resonances if localized. The corresponding electronic structure provides the basis for the understanding of virtually all of the properties of these systems, including the spin-dependent scattering which presumably gives rise to giant magnetoresistance. This analysis was essentially complete at the end of the tenure of the grant and preliminary application was made to transition-metal impurities in copper.

Open PDF

Document Details

Document Type
Technical Report
Publication Date
Jun 01, 1992
Accession Number
ADA253120

Entities

People

  • Walter A. Harrison

Organizations

  • Stanford University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Atoms
  • Density Functional Theory
  • Electrons
  • Elements
  • Fermi Levels
  • Free Electrons
  • Ground State
  • Magnetic Moments
  • Metals
  • Numbers
  • Phase Shift
  • Quantum Properties
  • Resonance
  • Semiconductors
  • Square Roots
  • Transition Metals
  • Transitions

Readers

  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.
  • Theoretical Analysis.

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene