Electronic structure,carrier mobility and device properties for mixed-edge phagraphene nanoribbon by hetero-atom doping |
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| Affiliation: | 1. Department of Chemistry, South University of Science and Technology of China, Shen Zhen, Guangdong, 518000, PR China;2. Department of Physics and Materials Science, City University of Hong Kong, Hong Kong Special Administrative Region;1. Laboratory for Nanoelectronics and Spintronics, Research Institute of Electrical Communication, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577, Japan;2. Advanced Institute of Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577, Japan;3. Department of Computer Science, Tokyo University of Technology, 1404-1 Katakuramachi Hachioji, Tokyo, 192-0914, Japan;1. Institute of Theoretical Chemistry, Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China;2. Center of Analysis and Measurement, Jilin Institute of Chemical Technology, Jilin City 132022, China;3. Department of Science, Jilin Jian Zhu University, Changchun 130118, China;4. School of Chemical and Pharmaceutical Engineering, Jilin Institute of Chemical Technology, Jilin 132022, China;1. School of Materials Science and Engineering, Yancheng Institute of Technology, Yancheng 224051, PR China;2. Theoretical Physics Department, National Research Centre, El-Buhouth Str., Dokki, Giza 12622, Egypt;3. Institute for Nuclear Problems, Belarusian State University, Bobruiskaya 11, 220030 Minsk, Belarus;4. Center for Quantum Spintronics, Department of Physics, Norwegian University of Science and Technology, NO-7491 Trondheim, Norway;5. Radiation Physics Department, National Center for Radiation Researches and Technology (NCRRT), Atomic Energy Authority, Cairo, Egypt;6. Physics Department, Faculty of Science, Beni-Suef University, Beni-Suef City 62514, Egypt;1. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;2. College of Physical Science and Technology, Sichuan University, Chengdu 610064, China |
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| Abstract: | Phagraphene, a new carbon allotrope, was proposed recently. We here select a mixed-edge phagraphene ribbon to study B-, N-, and BN-doping effects respectively on the geometric stability, electronic structure, carrier mobility, and device property. Calculations show that the energetic and thermal stability for these ribbons are very high. With different doping types and doping sites, the bandgap size of a ribbon may be nearly unchanged, increased, or decreased as compared with the intrinsic ribbon, and even become a metal, thus presenting fully tunable electronic structures. For this, the charge transfer shifting edge bands and the new formed hybridized bands due to doping play a crucial role. More interestingly, doping at different positions can regulate the carrier mobility of ribbon, and the difference of two orders of magnitude for hole mobility can be generated by BN-doping. In addition, the study on device property shows that there is a prominent negative differential resistance characteristics occurring in a BN-doped ribbon device. These findings are meaningful for understanding the doping effects on electronic properties of phagraphene nanoribbons. |
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| Keywords: | Phagraphene nanoribbons Hetero-atom atom doping Electronic structure Carrier mobility I-V characteristics |
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