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Ab initio study of surface stress response to charging

Umeno, Y. ; Elsässer, C. ; Meyer, B. ; Gumbsch, P. ; Nothacker, M. ; Weissmüller, J. ; Evers, Ferdinand


We explore an efficient way to numerically evaluate the response of the surface stress of a metal to changes in its superficial charge density by analysis of the strain-dependence of the work function of the uncharged surface. As an application we consider Au(111), (110) and (100) surfaces, employing density functional theory (DFT) calculations. The sign of the calculated response parameter can ...


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