most citedCharge redistribution at Pd surfaces: ab initio grounds for tight-binding interatomic potentials

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cond-mat1997★ 33 cited

Charge redistribution at Pd surfaces: ab initio grounds for tight-binding interatomic potentials

S. Sawaya, J. Goniakowski, C. Mottet +2

A simplified tight-binding description of the electronic structure is often necessary for complex studies of surfaces of transition metal compounds. This requires a self-consistent…