Atomic Parameters for the 4fN-15d Configurations of Nd3+ and Er3+ Ions in Crystals

D.N. Petrova, P.T. Longb, B.M. Angelovc aDepartment of Physical Chemistry, Plovdiv University ``Paisii Hilendarski'', 24 Tzar Asen Str., 4000 Plovdiv, Bulgaria bDepartment of Physics and Oxide Research Center, Hankuk University of Foreign Studies, Yongin 449-791, South Korea cRetired from: Department of Inorganic and Physical Chemistry, University of Food Technologies, 26 Maritsa Blvd., 4000 Plovdiv, Bulgaria

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Matrix elements of spin-orbit interaction, nephelauxetic parameters βk (k=2,4,6), and radial expectation values ⟨rk⟩4f have been evaluated semi-empirically for the excited configurations 4fN-15d of the Nd3+ and Er3+ ions doped in crystals. It comprise the crystals as CaF2, LiYF4, YPO4, Y3Al5O12, Cs2NaYF6, Cs2NaErCl6, and K3YF6. The ⟨rk⟩4f values have been determined by the dielectric screening model. The obtained results were compared with those for the ground 4fN configurations of the same ions. It has been concluded that the wave functions of the 4fN-1 core electrons are more extended than those reported in theoretical studies.

DOI:10.12693/APhysPolA.142.266 topics: Ln(3+) ions, 4fN-15d configurations, atomic parameters