Orthogonalization procedures in the theory of colour centre hyperfine interactions

1974 ◽  
Vol 7 (18) ◽  
pp. 3224-3238 ◽  
Author(s):  
A H Harker

The hyperfine interactions of the F centre electron (an electron trapped at an anion vacancy) with the four nearest fluorine shells have been measured by the endor method in CaF 2 , SrF 2 and BaF 2 . The third shell fluorines are divided into two separate groups, labelled 3 a and 3 b , which are characterized by the presence and absence of a cation between the F centre and the fluorine. The hyperfine interaction with 3 a fluorines shows the unusual feature of increasing form CaF 2 to BaF 2 ; all other shells show a decrease. In the case of the F centre with the magnetic Ba nuclei in the nearest Ba shell has also been measured by the endor method. The hyperfine constants of the F centre in CaF 2 , SrF 2 and BaF 2 have been calculated and are compared with experiment. The theoretical wavefunctions used are the sum of a spherically symmetric part and anisotropic parts. The wavefunctions are orthogonalized to the other occupied orbitals in the crystal. The isotropic parts are taken from Bennett & Lidiard's point-ion calculation and give reasonable agreement with experiment. The anisotropic terms are needed because the F centre has only tetrahedral symmetry. The admixture of these terms is calculated by perturbation theory using the point ion model and anisotropic function from a continuum calculation. It is possible to get reasonable agreement with the anisotropy in the hyperfine constants found experimentally. The discrepancies are analysed as a preliminary to more sophisticated colour centre calculations.


1979 ◽  
Vol 40 (C2) ◽  
pp. C2-576-C2-578 ◽  
Author(s):  
B. D. Sawicka ◽  
J. A. Sawicki

1980 ◽  
Vol 41 (C1) ◽  
pp. C1-199-C1-200 ◽  
Author(s):  
St. Japa ◽  
K. Krop ◽  
M. Przybylski

2020 ◽  
Vol 46 (11) ◽  
pp. 1100-1102
Author(s):  
E. I. Terukov ◽  
A. V. Marchenko ◽  
A. A. Luzhkov ◽  
P. P. Seregin ◽  
K. B. Shakhovich

1983 ◽  
Vol 19 (1) ◽  
pp. 11 ◽  
Author(s):  
H. Yashima ◽  
H. Mitera ◽  
Y. Itoh

1971 ◽  
Vol 34 (7) ◽  
pp. 375-376
Author(s):  
M.J. Redman ◽  
M.R. Tubbs

1973 ◽  
Vol 60 (2) ◽  
pp. K109-K111 ◽  
Author(s):  
P. R. Barker ◽  
D. R. Hutton
Keyword(s):  

Sign in / Sign up

Export Citation Format

Share Document