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Calculation of Surface Energy and Work Functions of Electrons and Positrons in a Metal with a Dielectric Coating
Physics of Metals and Metallography ( IF 1.1 ) Pub Date : 2022-03-17 , DOI: 10.1134/s0031918x22010094
V. V. Pogosov 1
Affiliation  

The problem of finding the specific surface energy and work functions of electrons and positrons in a metal with a dielectric coating is solved analytically within the Ritz method and the quantum-statistical functional in the stable jelly model. The calculated values are sensitive to the gradient series of the kinetic energy of noninteracting electrons and are insensitive to the form of the monotonic electron profile. A comparison is made with calculations by the Kohn–Sham method of the surface energy and work functions for specific insulators. The simplest composite coatings are considered. The relationship between the theory of the Ritz method for composite coatings and calculations by the Kohn–Sham method of the surface energy and work function of electrons for metal–dielectric nanosandwiches is analytically established. It is proposed to take into account the effect of the composite coating on the characteristics of the metal surface by scaling the case of a homogeneous coating. The possibility of using the results obtained in various experimental situations is discussed.



中文翻译:

具有介电涂层的金属中电子和正电子的表面能和功函数的计算

在具有介电涂层的金属中寻找比表面能和电子和正电子的功函数的问题在 Ritz 方法和稳定果冻模型中的量子统计泛函中得到了解析解决。计算值对非相互作用电子的动能梯度系列敏感,对单调电子分布的形式不敏感。与特定绝缘体的表面能和功函数的 Kohn-Sham 方法计算进行了比较。考虑最简单的复合涂层。分析建立了复合涂层的Ritz方法理论与Kohn-Sham方法计算金属-介电纳米三明治的表面能和电子功函数之间的关系。建议通过缩放均匀涂层的情况来考虑复合涂层对金属表面特性的影响。讨论了使用在各种实验情况下获得的结果的可能性。

更新日期:2022-03-17
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