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Jun Wen,Liusen Hu,Min Yin,Shangda Xia 한국물리학회 2012 Current Applied Physics Vol.12 No.3
The 4f energy levels and crystal-field parameters for several clusters representing the local coordination surroundings of Eu3þ in the bulk and nanocrystalline cubic Y2O3: Eu3+ crystals are obtained by using a method based on the combination of the DV-Xa calculation and the effective Hamiltonian method initialized by M.F. Reid et al. (J. Phys.: Condens. Matter, 2011, 23: 045501). The results are in reasonable agreement with the measured energy levels and the crystal-field parameters obtained from the leastsquare fitting. The charge transfer energies are also obtained for all the clusters from the DV-Xa calculation. The results indicate that, compared with the bulk Y2O3: Eu3+ crystal, the charge transfer band in the excitation spectra is red-shifted in the nanocrystal. The 4f energy levels and crystal-field parameters for several clusters representing the local coordination surroundings of Eu3þ in the bulk and nanocrystalline cubic Y2O3: Eu3+ crystals are obtained by using a method based on the combination of the DV-Xa calculation and the effective Hamiltonian method initialized by M.F. Reid et al. (J. Phys.: Condens. Matter, 2011, 23: 045501). The results are in reasonable agreement with the measured energy levels and the crystal-field parameters obtained from the leastsquare fitting. The charge transfer energies are also obtained for all the clusters from the DV-Xa calculation. The results indicate that, compared with the bulk Y2O3: Eu3+ crystal, the charge transfer band in the excitation spectra is red-shifted in the nanocrystal.
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