Effective Doping in Cubic Si3N4 and Ge3N4: A First-Principles Study |
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Authors: | Fumiyasu Oba Kazuyoshi Tatsumi Isao Tanaka Hirohiko Adachi |
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Affiliation: | Engineering Research Institute, The University of Tokyo, Tokyo 113–8656, Japan;Department of Materials Science and Engineering, Kyoto University, Kyoto 606–8501, Japan |
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Abstract: | First-principles calculations have been conducted to investigate impurities in cubic Si3N4 and Ge3N4. Impurity species suitable for n - and p -type doping are suggested, in terms of the formation and ionization energies. The suggested species are P and O as n -type dopants and Al as a p -type dopant for c -Si3N4, and Sb and O as n -type dopants and Al as a p -type dopant for c -Ge3N4. The dependence of the formation energies on the chemical potentials indicates that a proper choice of growth conditions is mandatory for suppressing the incorporation of these impurities into anti and interstitial sites, where the impurities can be charged to compensate carriers. |
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Keywords: | dopants/doping germanium nitrides silicon nitride |
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