Electronic Structure and Magnetism of Mixed Atomic Clusters

Abstract

During this project we have studied the magnetic behavior of Ni, V, Rh, Gd, and Mn Clusters, interaction of metal clusters with substrates and hydrogen, iron-carbon clusters, the hydrogen-vacancy complexes and have explained anomalies spectroscopic data on metal cluster anions. Our studies have enabled: (1) an understanding of the magnetic behavior of clusters of conventional ferromagnetic metals Fe, Co, Ni, (2) predicted ferromagnetism in Rh(n) clusters, (3) examined spin canting in Gd(n) clusters, and (4) predicted that clusters of antiferromagnetic solids like Mn are magnetic. We have offered the first explanation of the anomalies in the negative ion spectroscopy of Li(n) clusters and have provided a basic understanding of the Hydrogen-vacancy complexes.

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Document Details

Document Type
Technical Report
Publication Date
Jan 15, 1999
Accession Number
ADA365196

Entities

People

  • B. K. Rao
  • Purusottam Jena
  • S. N. Khanna

Organizations

  • Virginia Commonwealth University

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Chemical Reactions
  • Density Functional Theory
  • Engineered Materials
  • Geometry
  • Ground State
  • Hydrogen
  • Magnetic Moments
  • Magnetic Properties
  • Materials
  • Molecular Dynamics
  • Molecular Orbital Theory
  • Physical Properties
  • Quantum Properties
  • Simulations
  • Spectroscopy
  • Subatomic Particles
  • Transition Metals

Fields of Study

  • Physics

Readers

  • Materials Science and Engineering.
  • Powder metallurgy of Titanium alloys.
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Microelectronics