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.
2013, Vol. 30 
