Nitrogen and Boron substitutional doped zigzag silicene nanoribbons: Ab initio investigation |
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| Institution: | 1. College of Physics and Information Technology, Shaanxi Normal University, Xian 710062, Shaanxi, PR China;2. School of Physics and Electrical Information Engineering, Ningxia University, Yinchuan 750021, Ningxia, PR China;3. Department of Physics, Xian University of Arts and Science, Xian 710065, Shaanxi, PR China;4. ICMMO/LEMHE, Université Paris-Sud 11, 91405 Orsay Cedex, France;1. Institute of Physics, National Academy of Sciences of Ukraine, 46 pr. Nauki, Kiev 03028, Ukraine;2. Physical–technical Research Institute, Nizhni Novgorod State University, Nizhni Novgorod 603950, Russia;1. School of Mechanical and Electronic Engineering, Suzhou University, Suzhou 234000, China;2. School of Mechanical and Vehicle Engineering, Anhui Polytechnic University, Wuhu 241000, China;1. Department of Science, Bushehr Branch, Islamic Azad University, Bushehr, Iran;2. Department of Physics, Ayatollah Amoli Branch, Islamic Azad University, Amol, Iran |
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| Abstract: | We performed a spin polarized density-function theory study of the stabilities, electronic and magnetic properties of zigzag silicene nanoribbons (ZSiNRs) substitutionally doped with a single N or B atom located at various sites ranging from edge to center of the ribbon. From minimization of the formation energy, it is found that the substitutional doping is favorable at edge of the ribbon. A single N or B atom substitution one edge Si atom of ZSiNRs can greatly suppress the spin-polarizations of the impurity atom site and its vicinity region, and leads to a transition from antiferromagnetic (AFM) state to ferromagnetic (FM) state, which is attributed to the splitting of the original spin degenerate edge bands. A single N atom doped ZSiNRs still keep semiconductor property but a single B atom doped ZSiNRs exhibit a half-metallic character. Our results reveal that substitution doped ZSiNRs have potential applications in Si-based nanoelectronics, such as field effect transisitors (FETs), negative differential resistance (NDR) and spin filter (SF) devices. |
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| Keywords: | ZSiNRs Substitution Magnetic property Density functional theory |
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