Abstract:

We have studied the relaxation of Na(110) and Na_2O(111) surfaces with LEED, and found that the best agreement between theory and experiment in such a structure, the surface layer distance d=0.291±0.01 nm (contracted 0.34%±0.01 nm) [for Na(110)]; and the three atomic surface layer distances d_1=0.117±0.01 nm (expanded 4.63%±0.01 nm), d_2=0.161±0.01 nm(expanded 0.063%±0.01 nm) and d_3=0.086±0.01 nm (expanded 0.75%±0.01 nm) [for Na_2O(111)].

Key words: Relaxation of Na(110) surface, Relaxation of Na₂O(111) surface, LEED spectra, Band theory