WAN Lei1, GAO Tao1**, MA Shi-Jia2, LU Peng-Fei2, LI Peng1
1Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 2State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876
Abstract:The structural and electronic properties of undoped and Ag-doped unpassivated wurtzite GaAs nanowires (NWs), as well as their stability, are investigated within the first-principles frame. The calculated formation energies show that the single Ag energetically prefers to substitute the surface Ga (Ef=?0.529 eV) under As-rich conditions, and creates a much shallower (0.19 eV above the Fermi) acceptor level, which is of typical p-type character. With the increase in the Ag concentration, the p-type behavior gradually weakens and the n-type character arises. Thus, one can expect to synthesize Ag-doped GaAs NWs for p-type or n-type applications by controlling their Ag concentration and microarrangement.
(Electronic structure of nanoscale materials and related systems)
引用本文:
. [J]. 中国物理快报, 2013, 30(6): 66101-066101.
WAN Lei, GAO Tao, MA Shi-Jia, LU Peng-Fei, LI Peng. First-Principles Study of Ag-Doped GaAs Nanowires. Chin. Phys. Lett., 2013, 30(6): 66101-066101.