Magnetic ordering of dangling bond networks on hydrogen-deposited Si(111) surfaces.
Based on total-energy electronic-structure calculations within the density-functional theory, we find that a high spin state is realized for an ultimate dangling bond unit on an otherwise hydrogen-covered Si(111) surface. We further propose a systematic method of constructing nanometer-scale dangling bond networks that exhibit the ferrimagnetic spin ordering. The interplay between the electron-electron interaction and the surface reconstruction is elucidated.
Okada
Susumu
S
Institute of Physics and Center for Computational Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba 305-8571, Japan.
Shiraishi
Kenji
K
Oshiyama
Atsushi
A