Magnetic ordering of dangling bond networks on hydrogen-deposited Si(111) surfaces |
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Authors: | Okada Susumu Shiraishi Kenji Oshiyama Atsushi |
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Affiliation: | Institute of Physics and Center for Computational Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba 305-8571, Japan. |
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Abstract: | 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. |
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