Short analytical expressions accounting for the spatial distribution of ligand electrons in the theory of the odd crystal field on rare-earth ions
https://doi.org/10.26907/mrsej-25201
Abstract
Using Gaussian decompositions of the electron potential energy and the 4f and 5d-electron wave functions, we have derived short analytical formulae for calculating the parameters of the odd crystal field on rare-earth ions. Extended charge contributions to the intrinsic parameters a(1), a(2), a(3), a(4), a(5), and a(6) were evaluated using Hartree-Fock wave functions of Pr3+-O2- and of Tm3+-O2- pairs.
About the Authors
D. V. Popov
Zavoisky Physical-Technical Institute, FRC KazSC RAS
Russian Federation
Russian Federation
Kazan 420029
R. F. Likerov
Zavoisky Physical-Technical Institute, FRC KazSC RAS
Russian Federation
Russian Federation
Kazan 420029
M. V. Eremin
Kazan Federal University
Russian Federation
Russian Federation
Kazan 420008
R. M. Eremina
Zavoisky Physical-Technical Institute, FRC KazSC RAS
Russian Federation
Russian Federation
Kazan 420029
References
1. Judd B.R., Physical Review, 127(3), 750 (1962).
2. Ofelt G.S., The Journal of Chemical Physics, 37(3), 511 (1962).
3. Reid M.F., in: Spectroscopic Properties of Rare Earths in Optical Materials, edited by Liu G.K., Jacquier B., Springer, Berlin, 95 (2005).
4. Hehlen M.P., Brik M.G., Kramer K.W., Journal of Luminescence, 136, 221 (2013).
5. Kornienko A.A., Dunina E.B., Yankevich V.L., Optics and Spectroscopy, 81(6), 871 (1996).
6. Dunina E.B., Kornienko A.A., Optics and Spectroscopy, 116, 706 (2014).
7. Mims W.B., The linear electric field effect in paramagnetic resonance, Clarendon Press, Oxford (1976)
8. Eremin M.V., Tarasov V.F., JETP Letters, 116, 434 (2025).
9. Rajnak K., Wybourne B.G., The Journal of Chemical Physics, 41(2), 565 (1964).
10. Eremin M.V., Kurkin I.N., Mariakhina O.I., Shekun L.Ya., Solid State Physics, 11, 2103 (1969) [in Russian].
11. Garcia D., Faucher M., Malta O.L., Physical Review B 27(12), 7386 (1983).
12. Malkin B.Z., in: Spectroscopy of Solids Containing Rare-Earth Ions, edited by Kaplianskii A.A. and Macfarlane R.M., North-Holland, Amsterdam, Ch.2, 28 (1987).
13. Garcia D., Faucher M., Physical Review B, 30(4), 1703 (1984).
14. Popov D.V., Likerov R.F., Shafikova A.E., Eremin M.V., Eremina R.M., The Journal of Physical Chemistry C, 128(22), 9294 (2024).
15. Shegeda A.M., Korableva S.L., Morozov O.A., Lisin V.N., Solovarov N.K., Tarasov V.F., JETP Letters, 117(4), 264 (2023).
16. Toyoda S., Abe N., Kimura S., Matsuda Y., Nomura T., Ikeda A., Takeyama S., Arima T., Physical Review Letters, 115(26), 267207 (2015).
17. Toyoda S., Abe N., Arima T., Physical Review B, 93(20), 201109 (2016).
18. Kezsmarki I., Kida N., Murakawa H., Bordacs S., Onose Y., Tokura Y.,Physical Review Letters, 106(5), 057403 (2011).
19. Vasin K.V., Eremin M.V., Nurmukhametov A.R., JETP Letters, 115, 420 (2022).
20. Abragam A., Bleaney B., Electron Paramagnetic Resonance of Transition Ions, Dover: New York, NY, USA, 652 p., (1986).
21. Iglamov V.V., Eremin M.V., Physics of the Solid State, 49, 229 (2007).
22. Taketa H., Huzinaga S., Ohata K.,Journal of the Physical Society of Japan 21, 2319 (1966).
23. Rajnak K., The Journal of Chemical Physics, 37, 2440 (1962).
24. Anikeenok O.A., Physics of the Solid State, 48, 1878 (2006).
Review
For citations:
Popov D.V., Likerov R.F., Eremin M.V., Eremina R.M. Short analytical expressions accounting for the spatial distribution of ligand electrons in the theory of the odd crystal field on rare-earth ions. Magnetic Resonance in Solids. 2025;27(2):25201 (9 pp.). https://doi.org/10.26907/mrsej-25201
Views:
14
Email this article 