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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Optical spectra and energy levels analysis of the 4f N ions doped into Ba _2YCl _7
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Optical spectra and energy levels analysis of the 4f N ions doped into Ba _2YCl _7

机译：Ba _2YCl _7中掺杂的4f N离子的光谱和能级分析

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摘要

Absorption emission and excitation spectra are measured and analyzed to achieve assignments of energy levels for 4f ~N ions in Ba _2YCl _7:RE ~(3+) (RE = Pr, Nd, Tb, Dy, Ho, Er, and Tm) crystals. The experimental energy levels were analyzed in terms of the usual free-ion parameters and the crystal field (CF) ones, B _(kq), in the Wybourne notation. The orthorhombic C _(2v) symmetry is shown to be a good approximation of the actual triclinic C _1 site symmetry at the metal center. The starting values of the CF parameters B _(kq) used for fittings for the studied crystals were obtained from superposition model analysis. A good agreement between the calculated and experimental energy levels was obtained with rms deviations in the range from 6.8 cm ~(-1) (for Ho ~(3+)) to 14.1 cm ~(-1) (for Pr ~(3+)). The fitted sets of B _(kq) parameters are, in general, consistent across the 4f ~N series. This study has enabled determination and discussion of the trends in variation of the free-ion parameters and CF ones across the 4f ~N series. The CF parameter set and energy level structure obtained for Nd ~(3+) ion in Ba _2YCl _7 crystal are consistent with those for Nd ~(3+) in structurally related RbY _2Cl _7 crystal. This systematic analysis of CF parameters is one of only few such studies encompassing nearly whole series of RE ~(3+) ions.
机译：测量和分析吸收发射光谱和激发光谱，以实现Ba _2YCl _7：RE〜（3+）（RE = Pr，Nd，Tb，Dy，Ho，Er和Tm）晶体中4f〜N离子的能级分配。根据通常的自由离子参数和Wybourne表示法的晶体场（CF）参数B _（kq）分析了实验能级。正交晶体C _（2v）对称性被证明是金属中心实际三斜C _1位置对称性的良好近似。通过叠加模型分析获得用于拟合所研究晶体的CF参数B _（kq）的起始值。在RMS偏差范围从6.8 cm〜（-1）（对于Ho〜（3+））到14.1 cm〜（-1）（对于Pr〜（3+） ））。通常，在4f〜N系列中，B_（kq）参数的拟合集是一致的。这项研究使得能够确定和讨论4f〜N系列中自由离子参数和CF参数变化的趋势。 Ba _2YCl _7晶体中Nd〜（3+）离子的CF参数集和能级结构与结构相关的RbY _2Cl _7晶体中Nd〜（3+）的CF参数集和能级结构一致。 CF参数的这种系统分析是涵盖几乎整个RE〜（3+）离子系列的少数此类研究之一。

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