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Theoretical studies of local structure and high-pressure shifts of the spin–orbit levels of Co2+ in KZnF3

✍ Scribed by Yu Lei

Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
106 KB
Volume
127
Category
Article
ISSN
0038-1098

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✦ Synopsis

The local crystal structure of a Co 2þ dopant ion in KZnF 3 has been determined on the basis of the experimental optical spectra, electron paramagnetic resonance parameter g; the approximately equivalent molecular orbital model, and the m ka model. The results show that when a Co 2þ ion occupies a Zn 2þ site, the bond length changes by about 6%. Using the experimental high-pressure shifts of the spin-orbit levels, the state equation and the pressure dependence of the g-factor are obtained. The good agreement between theory and experimental findings shows that the method is reasonable. The state equation and the pressure dependence of the g-factor await further experimental tests.

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