电子偶素在石英表面的物理吸附
Physisorption of positronium on quartz surfaces
摘要：
在材料表面物理吸附正电子素（Ps）的可能性是非常重要的，因为它可以导致关于量子粘附的新见解，并且是尝试在材料主体上获得Ps $_2$分子的必要的第一步。在过去的一些实验中，石英表面上的物理吸附Ps的证据，但这样的结论缺乏坚实的理论支持。我们提出了一个第一性原理密度泛函计算的关键参数确定Ps和$α$-石英表面之间的相互作用潜力。我们表明，确实有一个束缚态的能量为0.14 eV，这与$\sim0.15$ eV的实验估计值非常吻合的值。此外，一个简短的能量分析调用物理吸附原子的反应的朗缪尔-欣谢尔伍德机制表明，在该图片中的Ps $_2$分子的形成和解吸与上述结果一致。
英文摘要：
The possibility of having positronium (Ps) physisorbed at a material surface is of great fundamental interest, since it can lead to new insight regarding quantum sticking and is a necessary first step to try to obtain a Ps$_2$ molecule on a material host. Some experiments in the past have produced evidence for physisorbed Ps on a quartz surface, but firm theoretical support for such a conclusion was lacking. We present a first-principles density-functional calculation of the key parameters determining the interaction potential between Ps and an $α$-quartz surface. We show that there is indeed a bound state with an energy of 0.14 eV, a value which agrees very well with the experimental estimate of $\sim0.15$ eV. Further, a brief energy analysis invoking the Langmuir-Hinshelwood mechanism for the reaction of physisorbed atoms shows that the formation and desorption of a Ps$_2$ molecule in that picture is consistent with the above results.
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