Electronic Structure and Properties of Defect Complexes in Metals

Abstract

Work has been confined to three different areas. These include: (i) Defect complexes - Interaction of hydrogen with vacancies, substitutional impurities, impurity-vacancy complexes, and lattice strain. Also studied are the interaction of He with metals, electric field gradient produced by impurities at host sites in cubic metals, positron annihilation in clean voids, as well as those containing rare-gas atoms and impurities, and the effect of lattice relaxation on the positron lifetime. (ii) Disordered Systems - Electronic states, magnetic behavior and the electrical transport in metal-metalloid glasses; role of metalloids in affecting the electronic spectrum; (iii) Clusters - Equilibrium geometries, stability, electronic structure, and properties of neutral and charged micro-clusters consisting of up to ten atoms. Keywords: Electronic structure, Defect complexes, Metals, Disordered systems, Clusters.

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Document Details

Document Type
Technical Report
Publication Date
Nov 01, 1988
Accession Number
ADA203657

Entities

People

  • Purusottam Jena

Organizations

  • Virginia Commonwealth University

Tags

DTIC Thesaurus Topics

  • Alkali Metals
  • Chemical Compounds
  • Chemistry
  • Crystal Structure
  • Density Functional Theory
  • Electric Fields
  • Electronic States
  • Electronic Structure Theory
  • Electrons
  • Frequency
  • Frequency Shift
  • Geometry
  • Hydrogen
  • Materials
  • Molecular Orbital Theory
  • Spectra
  • Transition Metals

Fields of Study

  • Physics

Readers

  • Materials Science and Engineering.
  • Solar Physics

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene