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重庆邮电大学 数理学院, 重庆 400065
收稿日期:2011-06-04,
修回日期:2011-06-30,
网络出版日期:2011-09-22,
纸质出版日期:2011-09-22
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赖昌, 王广川. YAlO<sub>3</sub>晶体中Pr<sup>3+</sup>的4f<sup>2</sup>能级[J]. 发光学报, 2011,32(9): 885-889
LAI Chang, WANG Guang-chuan. The 4f <sup>2</sup> Energy Levels of Pr<sup>3+</sup> Doped YAlO<sub>3</sub> Crystal[J]. Chinese Journal of Luminescence, 2011,32(9): 885-889
YAlO
3
:Pr
3+
是一种受到广泛关注的发光体系
本文根据文献中给出的YAlO
3
:Pr
3+
晶体中Pr
3+
的晶体场能级
从Nd
3+
离子的晶体场参数和Pr
3+
的准自由离子参数出发
采用f-shell计算软件包对Pr
3+
的能级参数进行了研究
并对获得的参数进行了讨论。用拟合获得的参数计算了Pr
3+
的4f
2
电子构型的所有能级。
YAlO
3
:Pr
3+
is a good candidate for various luminescent applications. The crystal field parameters and energy levels of Pr
3+
doped YAlO
3
are studied via a least-square optimization of the calculated to the measured energies of the 4f
N
levels using the f-shell computer program. The optimization procedure requires the initial values of all the parameters appeared in the 4f
2
effective Hamiltonian. The initial values of the free ion parameters are taken from those of Pr
3+
in LaF
3
and those of the crystal field parameters are taken from those of Nd
3+
in YAlO
3
. All the 4f
2
energy levels of Pr
3+
are then calculated using the parameters obtained via the optimization procedure. Comparing the crystal field parameters of Pr
3+
to those of Nd
3+
and Er
3+
in YAlO
3
it is found that the majority of the modules of the crystal field parameters decreases with increasing nuclear charge of the rare-earth ions.
Lue W C, Ma X H, Zhou H, et al. White up-conversion luminescence in rare-earth-lon-doped YAlO3 nanocrystals [J]. J. Phys. Chem. C, 2008, 112 (38):15071-15074.[2] Nikl M, Mares J A, Vedda A, et al. Can Pr-doped YAP scintillator perform better? [J]. IEEE Transactions on Nuclear Science, 2010, 57 (3):1168-1174.[3] Birk M G, Sildos I, Kiisk V. Calculations of physical properties of pure and doped crystals: Ab initio and semi-empirical methods in application to YAlO3:Ce3+ and TiO2 [J]. J. Lumin., 2011, 131 (3):396-403.[4] Zhou Wen, Yu Liping, Lian Shixun, et al. Influence of pH value in precursor solution on the component, morphology and photoluminescence of Ca2Zn4Ti16O38:Pr3+, Na+ phosphor [J]. Chin. J. Lumin. (发光学报), 2010, 31 (5):712-718 (in Chinese).[5] He Ganwu, Liu Yingliang, Lei Bingfu. Luminescence properties of CaSnO3: Pr3+ perovskite phosphor [J]. Chin. J. Lumin. (发光学报), 2007, 28 (3):389-392 (in Chinese).[6] Guo Yu, Liu Yuxue, Yan Xiaolei, et al. Two-wavelength optical storage properties of 12CaO7Al2O3:Pr3+ phosphor [J]. Chin. J. Lumin. (发光学报), 2011, 32 (4):313-318 (in Chinese).[7] Nicolas S, Descroix E, Guyot Y, et al. 4f 2 to 4f5d excited state absorption in Pr3+-doped crystals [J]. Optical Material, 2001, 16 (1-2):244-242.[8] Nicolas S, Laroche M, Girad S, et al. 4f 2 to 4f5d excited state absorption in Pr3+:YAlO3 [J]. J. Phys.: Condensed Matter, 1999, 11 (40):7937-7946.[9] Gayen S K, Xie B Q, Cheung Y M. Two-photon excitation of the lowest 4f 24f5d near-ultraviolet transitions in Pr3+: Y3Al5O12 [J]. Phys. Rev. B, 1992, 45 (1):20-28.[10] Malinowski M, Garapon C, Joubert M F, et al. One- and two-photon spectroscopy of Pr3+-doped YALO3 [J]. J. Phys.:Condensed Matter, 1995, 7 (1):199-211.[11] Auzel F. A relationship for crystal field strength along the lanthanide series; application to the prediction of the (2F7/2)Yb3+ maximum splitting [J]. Optical Material, 2002, 19 (1):89-94.[12] Duan C K, Tanner P A, Makhov V N, et al. Vacuum ultraviolet spectra and crystal field analysis of YAlO3 doped with Nd3+ and Er3+ [J]. Phys. Rev. B, 2007, 75 (19):195130-1-12.[13] Carnall W T, Goodman G L, Rajnak K, et al. A systematic analysis of the spectra of the lanthanides doped into single crystal LaF3 [J]. J. Chem. Phys., 1989, 90 (7):3443-3457.[14] Morrison C A, Leavitt R P. Crystal-field analysis of triply ionized rare earth ions in lanthanum trifluoride [J]. J. Chem. Phys., 1979, 71 (6):2366-2374.
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