Ck. Yang et al., ELECTRONIC-STRUCTURE CALCULATION FOR A STEPPED CU(110) SURFACE BY USING A REAL-SPACE APPROACH, Physics letters. A, 188(1), 1994, pp. 68-72
We use the recursive Green function method to calculate the electronic
local density of states for atoms near a step on the Cu(110) surface.
The calculation is done in real space with LMTO parameters. The resul
ts show that there are substantial charge redistributions among atoms
in the top and bottom region of the step, indicating a strong dipole m
oment in the vicinity of the step.