Based on total-energy electronic-structure calculations within the density-functional theory, it was found that a high spin state was realized for an ultimate dangling bond unit on an otherwise H-covered Si(111) surface. A systematic method was further proposed for constructing nm-scale dangling bond networks that exhibited ferrimagnetic spin ordering. The interplay between the electron-electron interaction and the surface reconstruction was elucidated.

Magnetic Ordering of Dangling Bond Networks on Hydrogen-Deposited Si(111) Surfaces. S.Okada, K.Shiraishi, A.Oshiyama: Physical Review Letters, 2003, 90[2], 026803 (4pp)