Author:
Crampin S.,Hampel K.,Vvedensky D. D.,MacLaren J. M.
Abstract
The one-electron theory of metals is applied to the calculation of stacking fault energies in face-centered cubic metals. The extreme difficulties in calculating fault energies of the order of 0.01 eV/(interface unit-cell area) are overcome by applying the Force theorem and using the layer–Korringer–Kohn–Rostoker method to determine the charge density of isolated defects. A simple scheme is presented for accommodating deviations from charge neutrality inherent in this approach. The agreement between theoretical and experimental values for the stacking fault energy is generally good, with contributions localized to within three atomic planes of the fault, but suggest the quoted value for Rh is a significant overestimation.
Publisher
Springer Science and Business Media LLC
Subject
Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science
Reference43 articles.
1. The theory of stacking-fault energies in close-packed metals
2. 9 In real materials where the fault is created by the dissociation of partials, the occurrence of any given stacking fault will also depend upon an activation energy.
3. A determination of the stacking-fault energy of some pure F.C.C. metals
4. Linear methods in band theory
Cited by
92 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献