Cluster-Bethe-lattice treatment for thecenter in alkali halides
- 15 August 1978
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 18 (4) , 1966-1971
- https://doi.org/10.1103/physrevb.18.1966
Abstract
A cluster-Bethe-lattice calculation for the electronic density of states of a center in the rocksalt structure is presented for a simple one-orbital Hamiltonian. The parameters involved in the Hamiltonian are given values based on qualitative arguments for Na, K, Rb chlorides and bromides and the proton contact term is calculated for these sets of parameters, in fair agreement with experimental data.
Keywords
This publication has 18 references indexed in Scilit:
- Calculation of Magnetic Hyperfine Parameters for the H1o Center in CaF2, SrF2 and BaF2Physica Status Solidi (b), 1976
- Vacancy states in rock-salt ionic compoundsPhysical Review B, 1976
- Wave Function for the Interstitial Hydrogen Atom in SrF2Physica Status Solidi (b), 1976
- Calculation of the electronic structure and magnetic hyperfine contact terms of interstitial hydrogen in alkaline-earth fluoridesPhysical Review B, 1976
- Electronic structure of thecenter in a lithium-fluoride crystal by the method of linear combinations of atomic orbitalsPhysical Review B, 1976
- New theory of binary alloys with short-range order propertiesSolid State Communications, 1975
- "Cluster—Bethe-lattice" method: The electronic density of states of heteropolar systemsPhysical Review B, 1975
- ESR and ENDOR Investigation of Interstitial Hydrogen Atoms in Alkali Halides. II. Theoretical InterpretationPhysica Status Solidi (b), 1971
- ESR and ENDOR investigation of interstitial hydrogen atoms in alkali halidesPhysica Status Solidi (b), 1970
- Ligand Field Theory Formulation of the Optical and Magnetic Properties of U2 Centres in the Alkali HalidesPhysica Status Solidi (b), 1970