Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 120, Issue 38, Pages 22088-22095Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.6b07624
Keywords
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Funding
- National Natural Science Foundation of China [11404309, 11347109, 51402275, 11334008, 61290301]
- Fund of Shanghai Science and Technology Foundation [13JC1408800]
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Gallium arsenide (GaAs) nanowires possess a great potential as a fundamental building block for the next-generation electronic and optoelectronic devices, but their applications are limited by the p-type doping. Improving the p-type doping efficiency of GaAs nanowires depends on understanding the doping limits and developing effective methods to reactive p-type dopants. Here the stability of various surface point defects and their role in electronic structure and p-type doping of GaAs nanowires are studied by using first-principles calculation within (ASGa) is a highly stable surface point defect under As-rich density functional theory. Our results demonstrate that As antisite condition irrespective of bare and H-passivated GaAs nanowires. The formed As-Ga defects bring deep donor-type levels into the band gap, which is responsible for the deactivation of p-type dopants in GaAs nanowires. To suppress the impact of AsGa defects on the p-type doping of GaAs nano-wires, we propose two feasible methods by reducing As chemical potential (or AS partial pressure) and passivating with appropriate surface species (e.g., NO2), respectively. This work provides a new insight into the origin of p-type doping limits and the guidance for the realization of highly efficient p-type doping in III-V semiconductor nanowires.
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