arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2402.04761cond-mat.mtrl-sci
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元素周期表元素的正电子寿命计算

Positron lifetime calculation of the elements of the periodic table

J. M. Campillo Robles, E. Ogando, F. Plazaola

AI总结:

系统计算元素周期表多数元素的正电子寿命,证实块体及单空位寿命随原子序数呈周期性,并建立原子体积与寿命的强关联,分析增强因子及f、d电子影响。

摘要:

已对元素周期表中大多数元素系统地计算了理论正电子寿命值。在固体电子结构计算中采用了自洽和非自洽方案,并对正电子增强因子和相关能使用了不同的参数化方法。对所得结果进行了研究并与实验数据进行了比较,证实了理论趋势。众所周知,块体中的正电子寿命随原子序数呈周期性变化。这些计算也证实了单空位寿命遵循相同的行为。由此,建立了原子体积与正电子寿命之间的强关联。对计算中使用的增强因子的影响进行了评论。最后,我们分析了f电子和d电子对正电子寿命的影响。

英文摘要:

Theoretical positron lifetime values have been calculated systematically for most of the elements of the Periodic Table. Self-consistent and non-self-consistent schemes have been used for the calculation of the electronic structure in the solid, as well as different parameterizations for the positron enhancement factor and correlation energy. The results obtained have been studied and compared with experimental data, confirming the theoretical trends. As it is known, positron lifetimes in bulk show a periodic behaviour with atomic number. These calculations also confirm that monovacancy lifetimes follow the same behaviour. From this fact a strong relation between the atomic volume and the positron lifetime has been set. The effects of enhancement factors used in calculations have been commented. Finally, we have analysed the effects that f and d electrons cause in positron lifetimes.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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