Accession Number : AD0688970

Title :   THEORETICAL CALCULATION OF THE ENERGY LEVELS OF Gd(3+) IN CaF2.

Descriptive Note : Technical rept. 1 Jan 67-30 Nov 68,

Corporate Author : DAYTON UNIV OHIO RESEARCH INST

Personal Author(s) : O'Hare,J. M. ; Donlan,V. L.

Report Date : APR 1969

Pagination or Media Count : 36

Abstract : The free ion wave functions of the f7 states of Gd(3+) were calculated using the parameters of Judd, Crosswhite, and Crosswhite, wherein spin-spin and spin-other-orbit interactions are taken into account. These free ion states were used to calculate the energy levels of Gd(3+) in the cubic crystal field site of CaF2. Two calculations were done. In the first, only the 18M(J) components of the free ion 6P states were used as a basis. This calculation gave a mean error of 8/cm between calculated and experimental levels. In the second calculation, the 134M(J) components of the free ion 8S, 6P, 6I, and 6D levels were used as a basis. This calculation gives the correct ordering of the ground state representations and an overall ground state splitting about one half of the observed splitting. Means of further improving the ground state fit are discussed. (Author)

Descriptors :   (*CALCIUM FLUORIDES, CRYSTAL DEFECTS), (*GADOLINIUM, *MOLECULAR ENERGY LEVELS), WAVE FUNCTIONS, IONS, ABSORPTION SPECTRA, EMISSIVITY

Subject Categories : Atomic and Molecular Physics and Spectroscopy
      Solid State Physics

Distribution Statement : APPROVED FOR PUBLIC RELEASE