Tuning the electronic and optical properties of monatomic carbon chains |
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| Affiliation: | 1. Institute of Modern Physics, Fudan University, Shanghai 200433, China;2. Applied Ion Beam Physics Laboratory, Key Laboratory of the Ministry of Education, Fudan University, Shanghai 200433, China;3. Department of Optical Science and Engineering, Fudan University, Shanghai 200433, China;1. College of Sciences, Xi''an University of Science and Technology, Xi''an 710054, China;2. College of Physics and Information Technology, Shaanxi Normal University, Xi''an 710119, China;1. Physics Department, Faculty of Science, Malayer University, Malayer, Iran;2. Department of Nano Science, Kermanshah University of Technology, Kermanshah, Iran;1. Institute of Modern Physics, Fudan University, Shanghai 200433, China;2. Applied Ion Beam Physics Laboratory, Key Laboratory of the Ministry of Education, Fudan University, Shanghai 200433, China;3. Department of Optical Science and Engineering, Fudan University, Shanghai 200433, China |
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| Abstract: | The electronic, mechanical and optical properties of the monatomic carbon chains recently fabricated are investigated by hybrid density functional calculations. It is shown that the chain owns a direct band gap of 2.21 eV and the ultimate strength of 12.2 nN, which are in good agreements with experiments. The light absorption shows only one sharp peak in a wide photonic energy range up to 10 eV and exhibits a strong anisotropic feature as the absorption of the visible light polarized along the chain axis is five orders of magnitude stronger than that of the light polarized perpendicularly to the chain. By applying elastic strains on the chain, the band gap can be continuously changed from 1.58 to 3.86 eV with the absorption peak shifting correspondingly. Then a realistic graphene-chain device is proposed and is verified to be capable of applying strains up to 9% on the chain, suggesting potential applications in nano-size electro-optical and polarization devices with tunable working wavelengths from 345 to 561 nm. |
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