Ab Initio Calculations of the Magnetic Anisotropy.

Abstract

The main achievement is the development of computer codes for electronic structure calculations for systems without any rotational symmetry. At present, these codes are only tested for atomic systems, but exactly the same technique will be used for solids. This will then enable us to calculate the effects of spin-orbit coupling on the electronic structure of solids. The text will describe the numerical techniques which are used. After that detailed results of the investigation of the carbon atom are given.

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Document Details

Document Type
Technical Report
Publication Date
May 01, 1987
Accession Number
ADA182368

Entities

People

  • Henri J. Jansen

Organizations

  • Oregon State University

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Angular Momentum
  • Atoms
  • Charge Density
  • Computer Programs
  • Dipole Moments
  • Electric Fields
  • First Principles Calculations
  • Magnetic Anisotropy
  • Magnetic Fields
  • Momentum
  • Orbital Angular Momentum
  • Periodic Functions
  • Quantum Properties
  • Spin-Orbit Interaction
  • Symmetry
  • Wave Functions
  • Waves

Fields of Study

  • Physics

Readers

  • Computer Science.
  • Quantum Chemistry
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene
  • Space