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IOP Publishing, Journal of Physics D: Applied Physics, 39(47), p. 394013, 2014

DOI: 10.1088/0022-3727/47/39/394013

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Understanding doping at the nanoscale: The case of codoped Si and Ge nanowires

Journal article published in 2014 by Michele Amato, Riccardo Rurali, Maurizia Palummo ORCID, Stefano Ossicini ORCID
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Abstract Results of first-principles DFT calculations of the structural and electronic properties of B–P codoped Si and Ge NWs are presented and discussed. We find that, according to experiments, for both Si and Ge NWs, impurities tend to get closer together and to occupy edge positions, as a result of minor structural relaxation and hence lower formation energy. The study of the electronic structure shows that the simultaneous addition of B and P only slightly modifies the energy band gap value with respect to the pure wire, and is strongly dependent on the particular codoping configuration considered.