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Spherical voids in the stabilized jellium model: Rigorous theorems and Padé rep...
Ziesche, Paul; Perdew, John P.; Fiolhais, CarlosWe consider the energy needed to form a spherical hole or void in a simple metal, modeled as ordinary jellium or stabilized jellium. (Only the latter model correctly predicts positive formation energies for voids in high-density metals.) First we present two Hellmann-Feynman theorems for the void-formation energy 4πR2σRv(n¯) as a function of the void radius R and the positive-background density n¯, which may be...
Formation energies of metallic voids, edges, and steps: Generalized liquid-drop...
Perdew, John P.; Ziesche, Paul; Fiolhais, CarlosThe void formation energy is the work needed to create the curved surface of a void. For a spherical hole in a homogeneous metal (jellium or stabilized jellium), the void formation energy is calculated for large radii from the liquid-drop model (surface plus curvature terms), and for small radii from perturbation theory. A Padé approximation is proposed to link these limits. For radii greater than or equal to t...
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