Structural,electronic properties and stability of Ag-doped GaAs nanowires: First-principles study |
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| Institution: | 1. College of Physics and Materials Science, Henan Normal University, Xinxiang 453007, China;2. College of Electronic and Electrical Engineering, Henan Normal University, Xinxiang 453007, China;1. Chemistry Department, Faculty of Science, El-Menoufia University, Shebin El-Kom 32512, Egypt;2. Department of Chemistry, Faculty of Science, Assuit University, New Valley Campus, Egypt;3. Institute for Materials Chemistry and Engineering, Kyushu University, Nishi-ku, Fukuoka 819-0395, Japan;1. School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, China;2. Department of Physics, Jining University, Qufu 273155, China;3. College of Physics and Electronic Engineering, Qilu Normal University, Jinan 250014, China |
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| Abstract: | First-principles computations have been addressed to determine the effects of Ag substitution to the structural, electronic properties and stability of Ag-doped GaAs NW. Our results show that the substitutional Ag energetically prefers to substitute the surface Ga (Ef=?0.529 eV) under As-rich conditions and introduces a much shallow (0.19 eV above the Fermi) acceptor level, which is of typical p-type behavior. With the increase in the Ag concentration, the p-type character gradually weakens and n-type character arises. Thus, one can expect to synthesize Ag-doped GaAs NWs for p-type or n-type applications with the control of Ag concentration and its microarrangement. |
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| Keywords: | GaAs nanowire Ag-doped Structural and electronic properties Stability First-principles calculation |
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