Crystal-field determination for trivalent erbium in yttrium orthoaluminate

J. M. O'Hare and V. L. Donlan
Phys. Rev. B 15, 10 – Published 1 January 1977
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Abstract

A free-ion-model crystal-field calculation has been performed for YAlO3:Er3+. A free-ion calculation was done by fitting a free-ion Hamiltonian, which included Coulomb, spin-orbit, configuration, spin-spin, and spin-other-orbit interactions. The coefficients which gave the best least-squares deviation of the calculated centers of gravity from the observed centers of gravity were E1=6174.1, E2=32.836, E3=651.69, ξ=2350.5, α=27.825, β=722.32, γ=3729.4, M0=3.525, M2=[1.974], M4=[1.339], P2=2.4779, P4=0.0406, P6=0.1247, T2=157.04, T3=42.522, T4=62.23, T6=259.93, T7=402.94, T8=66.377 with an rms deviation of 29.1; where all quantities have units of cm1. The intermediate-coupled free-ion vectors were then used to fit a Cs (C1h) Hamiltonian to the observed Stark splittings. The crystal-field parameters obtained from a previous calculation on YAlO3:Tm3+ were used as starting parameters. The parameters which gave the best fit to the observed YAlO3:Er3+ Stark spectra were B02=183.2, ReB22=385.6, ImB22=185.2, B04=816.2, ReB24=444.0, ImB24=39.7, ReB44=637.0, ImB44=222.8, B06=603.8, ReB26=42.2, ImB26=305.4, ReB46=229.7, ImB46=523.8, ReB66=317.0, ImB66=87.0 with an rms deviation of 6.9; where all units are in cm1.

  • Received 24 June 1976

DOI:https://doi.org/10.1103/PhysRevB.15.10

©1977 American Physical Society

Authors & Affiliations

J. M. O'Hare

  • Department of Physics, University of Dayton, Dayton, Ohio 45469

V. L. Donlan

  • AFML, Wright-Patterson Air Force Base, Dayton, Ohio 45433

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Vol. 15, Iss. 1 — 1 January 1977

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