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| Title: | Stability and electronic structure of hydrogen passivated few atomic layer silicon films : a theoretical exploration | Authors: | Wang, S Zhu, L Chen, Q Wang, J Ding, F |
Issue Date: | 1-Mar-2011 | Source: | Journal of applied physics, 1 Mar. 2011, v. 109, no. 5, 053516, p. 1-5 | Abstract: | The stability, electronic, and optical properties of two dimensional hydrogenated few atomic layer silicon (H-FLSi) are systematically studied with density functional theory calculations. The formation energy of H-FLSi decreases with increasing layer thickness and approaches zero at the thickness of double layer, suggesting that this material is energetically favorable and thus its experimentally synthesizing is feasible. Its bandgap decreases with the increase of the thickness and eventually approaches the value of bulk silicon. More interestingly, the bandgap of hydrogenated silicon films can be tuned by external electric field and even becomes metal. Importantly, the light absorption threshold and absorption peak of the H-Si mono- and bilayer locate in different energy regions and both move toward higher energy region as compared with those of the bulk silicon. | Keywords: | Density functional theory Elemental semiconductors Energy gap Hydrogen Semiconductor thin films Silicon |
Publisher: | American Institute of Physics | Journal: | Journal of applied physics | ISSN: | 0021-8979 | EISSN: | 1089-7550 | DOI: | 10.1063/1.3553838 | Rights: | © 2011 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in S. Wang et al., J. Appl. Phys. 109, 053516 (2011) and may be found at http://link.aip.org/link/?jap/109/053516. |
| Appears in Collections: | Journal/Magazine Article |
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| Wang_Stability_electronic_structure.pdf | 2.16 MB | Adobe PDF | View/Open |
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