Abstract
The superhyperfine parameters A′ and B′ for Cr3+ ions in K2NaGaF6, K2NaCrF6, KMgF3 and CsCdF3 are theoretically studied from the cluster approach. In the present treatments, the orbital admixture coefficients and the unpaired spin densities in 2s, \( 2{\text{p}}_{\sigma } \) and \( 2{\text{p}}_{\pi } \)2 fluorine orbitals are obtained in a uniform way. The experimental A′ and B′ are reasonably explained, and the unpaired spin densities for the 2s, 2pσ and 2pπ orbitals of the ligand F− are also compared with those in the previous works.
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Owen, J., Thornley, J.H.M.: Rep. Prog. Phys. 29, 675 (1966)
Sugano, S., Shulman, R.G.: Phys. Rev. 130, 517 (1963)
Watson, R.E.: Phys. Rev. 134, A152 (1964)
Rimmer, D.E.: In: Proceedings of the International Conference on Magnetism, Nottingham, Institute of Physics Physical Society, London, p. 337. (1964)
Shulman, R.G., Knox, K.: Phys. Rev. Lett. 4, 603 (1960)
Helmholtz, L., Guzzo, A., Sanders, R.N.: J. Chem. Phys. 35, 1349 (1961)
Hall, T.P.P., Hayes, W., Stevenson, R.W.H., Wilkenjs, J.: J. Chem. Phys. 38, 1977 (1963)
Ziaei, M.E.: Can. J. Phys. 59, 298, (1981)
Davies, J.J., Smith, S.R.P., Owen, J., Hann, B.F.: J. Phys. C. Solid State Phys. 5, 245 (1972)
You, X.Z.: Structures and Properties of Coordination Compounds. Publishing of Science and Technology, Tianjing (1992)
Gao, X.Y., Wu, S.Y., Wei, W.H., Yan, W.Z.: Z. Naturforsch., A 60, 145 (2005)
Wu, S.Y., Gao, X.Y., Yan, W.Z.: Z. Naturforsch., A 58, 503 (2003)
Moreno, M., Barriuso, M.T., Aramburu, J.A.: Appl. Magn. Reson. 3, 283 (1992)
Guzzo, A.V.: Thesis, Washington University, St. Louis, MO, (1960)
Li, Z.M., Shuen, W.L.: J. Phys. Chem. Solids 57, 1673 (1996)
Weast, R.C.: CRC Handbook of Chemistry and Physics, p. F 187. CRC Press, Boca Raton, FL (1989)
Clementi, E., Raimondi, D.L.: J. Chem. Phys. 38, 2686 (1963)
Clementi, E., Raimondi, D.L., Reinhardt, W.P.: J. Chem. Phys. 47, 1300 (1967)
Morrison, C.A.: Crystal Field for Transition Metal Ions in Laser Host Materials. Springer, Berlin (1992)
Ferguson, J., Guggenheim, H.J., Wood, D.L.: J. Chem. Phys. 54, 504 (1971)
Mortier, M., Wang, Q., Buzaré, J.Y., Rousseau, M., Piriou, B.: Phys. Rev., B 56, 3022 (1997)
Wood, D.L., Ferguson, J., Knox, K, Dilton, J.F. Jr.: J. Chem. Phys. 19, 890 (1963)
Griffith, J.S.: The Theory of Transition-metal Ions. Cambridge University Press, London (1964)
McPerson, G.L., Kach, R.C., Stucky, G.D.: J. Chem. Phys. 60, 1424 (1974)
Harvey, J.S.M.: Proc. R. Soc. Lond., A 285, 581 (1965)
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Yao, J.S., Wu, S.Y., Gao, X.Y. et al. Investigations on the superhyperfine parameters for Cr3+ in the fluorides. Hyperfine Interact 174, 103–109 (2007). https://doi.org/10.1007/s10751-007-9516-5
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DOI: https://doi.org/10.1007/s10751-007-9516-5