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Spin-dependent transport properties of an armchair boron-phosphide nanoribbon embedded between two graphene nanoribbon electrodes
Affiliation:1. Department of Electrical & Computer Engineering and Center for Nanoscale Science & Engineering, University of Kentucky, Lexington, KY 40506, USA;2. Department of Mathematics and Statistics, Eastern Kentucky University, Richmond, KY 40475, USA;3. Department of Chemical Engineering, Shiraz University, Shiraz, Fars 71866, Iran;4. Department of Electronic & Communication Engineering, Shiraz University, Shiraz, Fars 71866, Iran;1. National Laboratory of Solid State Microstructures, College of Physics, Nanjing University, Nanjing 210093, China;2. Department of Physics, Nanjing University of Information Science & Technology, Nanjing 210044, China;3. National Laboratory of Solid State Microstructures and Department of Materials Science and Engineering, Nanjing University, Nanjing 210093, China;1. Departamento de Física, Universidade Federal do Ceará, CEP 60455-900, P.O. Box 6030, Fortaleza, Ceará, Brazil;2. Departamento de Física, Universidade Federal do Piauí, CEP 64049-550, Teresina, Piauí, Brazil;3. Instituto de Física, Universidade Federal de Uberlândia, CEP 38400-902, Uberlândia, Minas Gerais, Brazil;4. Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, Troy, NY, USA;1. Institute of Solid State Physics, Russian Academy of Sciences, 142432 Chernogolovka, Russia;2. Max-Planck-Institute für Festkörperforschung, Stuttgart, Germany
Abstract:
Using non-equilibrium Green׳s function and ab initio calculations we investigate structural, electronic, and transport properties of a junction consisting of armchair hexagonal boron phosphide nanoribbon (ABPNR) contacted by two semi-infinite electrodes composed of armchair graphene nanoribbons (AGNRs). We consider three different configurations including the pristine AGNR–BP–GNR and substitutions for Iron atoms, namely on phosphorus and boron atoms at one edge of the BP nanoribbon. The spin current polarization in all these cases is extracted for each structure and bias. Such hybrid system is found to exhibit not only significant spin-filter efficiency (SFE) but also tunable negative differential resistance (NDR).
Keywords:DFT+NEGF transport calculations  Spin-filter efficiency  Graphene nanoribbons  Boron phosphide nanoribbon
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