Electronic properties of Li-doped zigzag graphene nanoribbons |
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| Institution: | 1. Department of Physics, Faculty of Science, Gazi University, Teknikokullar, 06500 Ankara, Turkey;2. Nanotechnology Research Center, Bilkent University, Bilkent, 06800 Ankara, Turkey;3. Department of Physics, Bilkent University, Bilkent, 06800 Ankara, Turkey;4. Department of Electrical and Electronics Engineering, Bilkent University, Bilkent, 06800 Ankara, Turkey;1. Physics Department, Faculty of Science and Science Education, School of Science, University of Sulaimani, Kurdistan Region, Iraq;2. Science Institute, University of Iceland, Dunhaga 3, IS-107 Reykjavik, Iceland;3. Department of Mechanical Engineering, National United University, 1, Lienda, Miaoli 36003, Taiwan;4. School of Science and Engineering, Reykjavik University, Menntavegur 1, IS-101 Reykjavik, Iceland;1. Physics Department, Belarusian State University, pr. Nezavisimosti 4, Minsk 220030, Belarus;2. Institute for Spectroscopy Russian Academy of Science, Fizicheskaya Str. 5, Troitsk, 142190 Moscow, Russia;3. Moscow Institute of Physics and Technology, Institutskii pereulok 9, Dolgoprudny, 141700 Moscow region, Russia;1. College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018, China;2. College of Optical and Electronic technology, China Jiliang University, Hangzhou, 310018, China;1. College of Physics and Electronics, Shandong Normal University, Jinan 250014, China;2. School of Physics, Shandong University, Jinan 250100, China;1. Department of Physics, Alzahra University, Vanak, 1993891167 Tehran, Iran;2. Department of physics, Iran University of Science and Technology, Narmak, 16345 Tehran, Iran;3. Computational Physical Science Laboratory, Department of Nano Science, Institute for Research in Fundamental Sciences(IPM), P.O. Box19395–5531, Tehran, Iran |
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| Abstract: | Zigzag graphene nanoribbons (ZGNRs) are known to exhibit metallic behavior. Depending on structural properties such as edge status, doping and width of nanoribbons, the electronic properties of these structures may vary. In this study, changes in electronic properties of crystal by doping Lithium (Li) atom to ZGNR structure are analyzed. In spin polarized calculations are made using Density Functional Theory (DFT) with generalized gradient approximation (GGA) as exchange correlation. As a result of calculations, it has been determined that Li atom affects electronic properties of ZGNR structure significantly. It is observed that ZGNR structure exhibiting metallic behavior in pure state shows half-metal and semiconductor behavior with Li atom. |
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| Keywords: | Nanoribbon Doping Electronic properties DFT |
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