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Method for determining the electron and positron work function from a metal containing vacancies

机译:从含有含金属的空位确定电子和正电子工作功能的方法

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摘要

A method is proposed that combines self-consistent solutions for a monovacancy in metal without regard to the outer surface and the solution in the stable jelly model for metal with homogeneous volume and flat surface, but a lowered vacancy density due to the presence of a superlattice of vacancy voids with relative concentration c (v) . When using c (v) as a small parameter, all energy characteristics are expanded in a functional series. Zero expansion terms relate to defect-free metal, and linear in c (v) corrections are expressed in terms of its characteristics. Exact formulas allowing the consideration of the effect of vacancies on the electron and positron work function are derived. Characteristics are calculated at various temperatures for Al and Na by the Kohn-Sham method. The method application to spherical clusters is briefly discussed.
机译:提出了一种方法,其将单级聚常见气相用的单一溶液与外表面和均匀体积和平坦表面的金属中的稳定果冻模型中的溶液相结合,而是由于超晶格的存在而降低的空位密度 具有相对浓度C(v)的空位空隙。 当使用C(v)作为小参数时,所有能量特性都在功能性系列中扩展。 零扩展术语涉及无缺陷金属,并且C(V)校正中的线性以其特性表示。 允许考虑对电子和正电子工作函数的缺陷的确切公式。 通过Kohn-Sham方法在Al和Na的各种温度下计算特征。 简要讨论了对球面集群的方法应用。

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