Andreas C. Cangellaris, Karen M. Coperich, et al.
EMC 2001
We use the atom-jellium model of chemisorption to study the properties of an atom bonded to the surface of a simple metal. Beyond the jellium simulation of the metal substrate and the Kohn-Sham local-density description of exchange and correlation, we make no significant approximations: our solutions are parameter free, wave mechanical, and fully self-consistent. We solve this model for a set of adatoms exhibiting a variety of chemical behaviors. Properties studied include the electron-density distribution, the state density, the dipole moment, and the heat of adsorption. We discuss also the reintroduction of the discrete lattice structure of the substrate using perturbation theory. © 1978 The American Physical Society.
Andreas C. Cangellaris, Karen M. Coperich, et al.
EMC 2001
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SPIE Optical Engineering + Applications 2009
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MRS Spring Meeting 1993
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SPIE Advanced Lithography 2007