Browsing Masters Theses by Subject "AB Initio Study of Surface Energy, Surface Stress and Coupling Coefficient of Au (111)"
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AB Initio Study of Surface Energy, Surface Stress and Coupling Coefficient of Au (111)
(AUST, 2023-12-10)This study investigates ab initio exploration of the Au (111) surface within the generalized gradient approximation, with a primary focus on assessing the convergence properties of this noble metal. An in-depth analysis ...