| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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First-Principles Study of Ag-Doped GaAs Nanowires |
| 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
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| Cite this article: |
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WAN Lei, GAO Tao, MA Shi-Jia et al 2013 Chin. Phys. Lett. 30 066101 |
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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.
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Received: 15 October 2012
Published: 31 May 2013
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| PACS: |
61.46.Km
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(Structure of nanowires and nanorods (long, free or loosely attached, quantum wires and quantum rods, but not gate-isolated embedded quantum wires))
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62.23.Hj
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(Nanowires)
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73.22.-f
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(Electronic structure of nanoscale materials and related systems)
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