【摘 要】
:
In this work, the pressure influence on the absorption spectra of Na in solid Ar for various trapping sites is extensively investigated at T = 10 K and in the p
【机 构】
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National Laboratory of Superhard Materials,China Academy of Engineering Physics
【基金项目】
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国家自然科学基金;吉林大学校科研和教改项目;教育部优秀青年教师资助计划
论文部分内容阅读
In this work, the pressure influence on the absorption spectra of Na in solid Ar for various trapping sites is extensively investigated at T = 10 K and in the pressure range from 0 to 2.4 GPa by using Monte Carlo method with a constant pressure ensemble (NPT). For the trapping sites of nv = 1, 2, the absorption spectral widths increase progressively, the absorption peaks and the centroid spectral shift (CSS) tend to have a red shift with pressure increasing, even though there is no local structural symmetry change around Na atom caused by pressure. Highly symmetrical trapping site structure (nv = 1) determines a highly symmetrical triplet absorption feature at a low pressure. With the increase in pressure, the action from the Ar crystal field on the three energy levels of the 3p excited state of Na atom increases, resulting in the overlap of the three peaks. Low symmetrical trapping site structure (nv = 2) yields a low symmetrical triplet absorption pattern in which a large separation between the "single" and the "double" peaks exists at a low pressure. With the increase in pressure, the splitting between the singlet and the doublet increases, and the doublet merges as the pressure is larger than 2.4 GPa.
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