Tight-binding muffin-tin orbital Green's function method for surface and interface electronic structure calculations.

Lambrecht W.R.L., Andersen O.K.

The basic ideas of a tight-binding muffin-tin orbital Green's function formalism for surfaces and interfaces are presented. The central quantity in this method is for the Green's function matrix of an ideal semi-infinite crystal. The construction and interpretation of this quantity is discussed and preliminary results are shown for the Cu(100) and Ge(110) surfaces.

Surface Science, 178 256-63, 1986.

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