Spectroscopic properties of alkali atoms embedded in Ar matrix.
Spectroscopic properties of alkali atoms embedded in Ar matrix.
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嵌入 Ar 基体中的碱原子的光谱特性。
DOI：
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发表时间：
2011
影响因子：
4.4
通讯作者：
B. Gervais
中科院分区：
文献类型：
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作者：
E. Jacquet;D. Zanuttini;J. Douady;E. Giglio;B. Gervais
我们提出了嵌入在Ar基体中的碱原子（Li， Na和K）的可见吸收和相关发光的理论研究。我们使用了一个基于核心极化伪势的模型，这使我们能够准确地确定各种捕获点的气体到矩阵的位移。我们的计算结果与几位作者记录的实验光谱之间的显著一致，使我们能够建立一个明确的分配，这是由晶体位置和晶界位置的贡献组成的。我们的研究揭示了非常大的斯托克斯位移，高达9000厘米（-1），这可以通过实验观察来确定捕获点。
We present a theoretical investigation of visible absorption and related luminescence of alkali atoms (Li, Na, and K) embedded in Ar matrix. We used a model based on core polarization pseudopotentials, which allows us to determine accurately the gas-to-matrix shifts of various trapping sites. The remarkable agreement between our calculated results and the experimental spectra recorded by several authors allows us to establish a clear assignment of the observed spectra, which are made of contributions from crystalline sites on the one hand, and of grain boundary sites on the other hand. Our study reveals remarkably large Stokes shifts, up to 9000 cm(-1), which could be observed experimentally to identify definitely the trapping sites.