- 著者
- Okada Susumu Shiraishi Kenji Oshiyama Atsushi
- 出版者
- American Physical Society
- 雑誌
- Physical review letters (ISSN:00319007)
- 巻号頁・発行日
- vol.90, no.2, pp.026803, 2003-01
- 被引用文献数
- 33 21
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.