Possible Hosts for Quadruply Ionized 3d(N) Transition Metal Ions: Na2TiSiO5, Y2SiBe2O7, Bi4X3O12, and Bi12XO20 (X = Si, Ge)

Abstract

This report provides the crystal-field splitting of Cr4+ in the host materials Na2TiSiO5 Y2SiBe2O7, Bi4X3O12, and Bi12XO20. The strength of the crystal field is estimated by evaluating the coefficients of a multipole expansion of the crystal field for the Ti, Si, or Ge site and using empirical values of the radial integrals, <rk>. With the exception of the Ti site in Na2TiSiO7, the Si or Ge sites(D2d or S4 symmetry) are, to a certain degree, approximately tetrahedral. In the material Bi12Xo20 the X site (Ge or Si) has the cubic symmetry T. Estimated values of the parameters for the quadruply ionized 3dn electronic configurations are given for X=Ge. The energy levels are calculated with and without the spin-orbit interaction.

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Document Details

Document Type
Technical Report
Publication Date
May 01, 1991
Accession Number
ADA236543

Entities

People

  • Clyde A. Morrison

Organizations

  • Harry Diamond Laboratories

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Chemistry
  • Crystal Lattice Vibrations
  • Crystal Structure
  • Energy Levels
  • Germanates
  • Ground State
  • Materials
  • Military Research
  • Physics Laboratories
  • Quantum Properties
  • Refractive Index
  • Single Crystals
  • Spectra
  • Spin-Orbit Interaction
  • Transition Metals
  • Transitions
  • X Rays

Fields of Study

  • Materials science
  • Physics

Readers

  • Materials Science and Engineering.
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene
  • Space