Self-consistent Green's-function method for random overlayers
作者： J. Kudrnovský , I. Turek , V. Drchal , P. Weinberger , N. E. Christensen
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摘要: A tight-binding version of the linear-muffin-tin-orbital method is used to describe electronic structure random overlayers on a perfect substrate in self-consistent manner within local-density approximation. The true semi-infinite nature system incorporated via surface-Green's-function approach. generalization coherent-potential-approximation treat inhomogeneous alloys study effect disorder. formalism applied evaluate layer-projected densities states and work functions Ag-Pd fcc Ag(001) substrate.
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