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| Content Provider | PubMed Central |
|---|---|
| Author | Yu, Wen-zhe Yan, Jia-an Gao, Shang-peng |
| Abstract | One-side semihydrogenated monolayers of carbon, silicon, germanium, and their binary compounds with different configurations of hydrogen atoms are investigated by density functional theory. Among three considered configurations, zigzag, other than the most studied chair configuration, is energetically the most favorable structure of one-side semihydrogenation. Upon semihydrogenation, the semimetallic silicene, germanene, and SiGe become semiconductors, while the band gap in semiconducting SiC and GeC is reduced. Semihydrogenated silicene, germanene, SiGe, and GeC with chair configuration are found to be ferromagnetic semiconductors. For semihydrogenated SiC, it is ferromagnetic when all hydrogen atoms bond with silicon atoms, while an antiferromagnetic coupling is predicted when all hydrogen atoms bond with carbon atoms. The effect of interatomic distance between two neighboring magnetic atoms to the ferromagnetic or antiferromagnetic coupling is studied. For comparison, properties of one-side and both-side fully hydrogenated group-IV monolayers are also calculated. All fully hydrogenated group-IV monolayers are nonmagnetic semiconductors with band gaps larger than those of their semihydrogenated counterparts. |
| Related Links | http://dx.doi.org/10.1186/s11671-015-1040-y |
| Starting Page | 351 |
| File Format | |
| ISSN | 19317573 |
| e-ISSN | 1556276X |
| Journal | Nanoscale Research Letters |
| Volume Number | 10 |
| Language | English |
| Publisher | Springer US |
| Publisher Date | 2015-12-01 |
| Access Restriction | Open |
| Rights Holder | Springer US |
| Subject Keyword | Materials Science(all) Condensed Matter Physics Research in Higher Education |
| Content Type | Text |
| Resource Type | Article |
| Subject | Nanoscience and Nanotechnology Condensed Matter Physics |
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