Magneto optical properties of F centres in alkaline earth fluorides

The position of the F band peak is determined in additively coloured CaF 2 , SrF 2 and BaF 2 by the Faraday rotation method. However, in additively coloured crystals, the F band is normally overlaid by absorption due to higher F aggregate centres and a determination of the spin orbit coupling constant in the excited 2 P state of the F centre is not feasible since a precise knowledge of the F band optical density is required. It is found that trapped electron centres are produced by X-irradiation at 77 °K of undoped SrF 2 and BaF 2 crystals and hydrogen doped CaF 2 , SrF 2 and BaF 2 crystals and the spin orbit coupling is determined for these centres. Paramagnetic resonance measurements show (Bessent, Hayes, Hodby & Smith 1968) that the trapped electron centres are closely related to the normal F centres found in additively coloured crystals. Wavefunctions obtained from a point ion model (Bennett & Lidiard 1965) are used to calculate the spin orbit coupling for the 2 P state of the F centre in CaF 2 , SrF 2 and BaF 2 . For comparison with theory it is assumed that the spin orbit coupling for the irradiation induced trapped electron centres is not appreciably different from that for normal F centres and we obtain good agreement between theory and experiment.

1975 ◽  
Vol 53 (4) ◽  
pp. 420-423 ◽  
Author(s):  
H. R. Zaidi ◽  
R. D. Verma

Expressions are derived for the spin–orbit coupling constant, AvJ, for an isolated 2Π state of a diatomic molecule. These results are applied to the X2Π states of PO. Comparison with the available experimental results allows a determination of the first three derivatives of the coupling parameter at the equilibrium position. It is found that the second derivative gives the largest contribution, thus invalidating a common assumption of the existing theories.


1977 ◽  
Vol 55 (10) ◽  
pp. 937-942 ◽  
Author(s):  
A. F. Leung ◽  
Ying-Ming Poon

The absorption spectra of UCl5 single crystal were observed in the region between 0.6 and 2.4 μm at room, 77, and 4.2 K temperatures. Five pure electronic transitions were assigned at 11 665, 9772, 8950, 6643, and 4300 cm−1. The energy levels associated with these transitions were identified as the splittings of the 5f1 ground configuration under the influence of the spin–orbit coupling and a crystal field of C2v symmetry. The number of crystal field parameters was reduced by assuming the point-charge model where the positions of the ions were determined by X-ray crystallography. Then, the crystal field parameters and the spin–orbit coupling constant were calculated to be [Formula: see text],[Formula: see text], [Formula: see text], and ξ = 1760 cm−1. The vibronic analysis showed that the 90, 200, and 320 cm−1 modes were similar to the T2u(v6), T1u(v4), and T1u(v3) of an UCl6− octahedron, respectively.


1972 ◽  
Vol 50 (10) ◽  
pp. 1468-1471 ◽  
Author(s):  
Alan D. Westland

An expression for the magnetic susceptibility of octahedral d1 complexes is derived exactly in terms of an orbital reduction factor k taking into account the presence of the formal 2E excited state. Sample calculations show that the improved expression gives results for susceptibility which are lower at times by several percent from those given by previous expressions. The results given by Figgis using Kotani's method are adequately precise when the spin–orbit coupling constant is no larger than ~0.1 Dq.


2018 ◽  
Vol 112 (7) ◽  
pp. 071903 ◽  
Author(s):  
Nicolas Chauvin ◽  
Amaury Mavel ◽  
Ali Jaffal ◽  
Gilles Patriarche ◽  
Michel Gendry

2014 ◽  
Vol 89 (20) ◽  
Author(s):  
W. Stefanowicz ◽  
R. Adhikari ◽  
T. Andrearczyk ◽  
B. Faina ◽  
M. Sawicki ◽  
...  

Results of calculations of the spin-orbit coupling constant for 2 p , 3 p , 4 p , and 3 d shell ions and atoms are presented. The calculations are based on a theory developed in a previous paper. Excellent agreement of this theory with experiment is obtained for the 2 p and 3 d shell ions, while calculations using the familiar < ∂ V / r ∂ r > expression for the coupling constant lie 10 to 20 % too high. The exchange terms discussed in the earlier paper make a contribution to the coupling constant of the same sign and order of magnitude as the ordinary shielding terms. For the 3 p and 4 p shell atoms, the calculated coupling constants based on the exact theory and on the < ∂ V / r ∂ r > expression both tend to lie below the experimental values. An explanation for this disagreement is suggested, based on the noded nature of the outer-electron radial wave functions for these atoms. The importance of the residual-spin-other-orbit interaction is discussed, and it is shown that ignoring the form of this interaction may lead to a large variation in the coupling constant within a configuration.


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