First-Principles Study of Ag-Doped GaAs Nanowires
作者： Lei Wan , Tao Gao , Shi-Jia Ma , Peng-Fei Lu , Peng Li
DOI: 10.1088/0256-307X/30/6/066101
关键词:
摘要: The structural and electronic properties of undoped Ag-doped unpassivated wurtzite GaAs nanowires (NWs), as well their stability, are investigated within the first-principles frame. calculated formation energies show that single Ag energetically prefers to substitute surface Ga (Ef = −0.529 eV) under As-rich conditions, creates a much shallower (0.19 eV above Fermi) acceptor level, which is typical p-type character. With increase in concentration, behavior gradually weakens n-type character arises. Thus, one can expect synthesize NWs for or applications by controlling concentration microarrangement.
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