TWO-ELECTRON HEISENBERG EXCHANGE INTERACTION BETWEEN NEIGHBORING ATOMS
Abstract
The method of Nesbet is applied to the model investigated by Freeman and Watson to describe the Heisenberg exchange interaction between neighboring transition metal atoms. Pairs of atomic Hartree-Fock d orbitals obtained from calculations on cobalt are used; the nuclei and the remaining electrons are represented by two point charges at the nearest neighbor internuclear separation of cobalt atoms in the metal. Nuclear charges, Z, of one and ten are used to examine the effect of changing the assumed potential. The effective Heisenberg exchange parameter is large and negative for all values of the parameters used here. Results agree in sign with the earlier results of Freeman and Watson, who used the Heitler-London method without the ionic configuration, but differ by an order of magnitude for Z equal 1, and are somewhat closer for Z equal 10. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 01, 1961
- Accession Number
- AD0271704
Entities
People
- A.j. Freeman
- R.e. Watson
- R.k. Nesbet
Organizations
- United States Army Research Laboratory