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Size-Dependent Isovalent Impurity Doping for Ambipolar Control in Cu3N.

Kosuke Matsuzaki1, Chen-Wei Chang2, Teruya Nagafuji3

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This study introduces a novel doping method for copper nitride semiconductors using isovalent alkali metal impurities. Size-dependent doping with lithium, cesium, and rubidium enables precise control over n-type and p-type conductivity for advanced semiconductor applications.

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Area of Science:

  • Materials Science
  • Solid State Physics
  • Semiconductor Physics

Background:

  • Substitutional doping with aliovalent impurities is key for semiconductor ambipolar control.
  • Monovalent cation compounds face limitations in p-type doping due to a lack of suitable aliovalent impurities.

Purpose of the Study:

  • To explore an alternative doping strategy for Cu(I)-based semiconductors using isovalent alkali metal impurities.
  • To achieve controllable p-type and n-type doping in copper nitride via impurity size manipulation.

Main Methods:

  • Investigated doping effects of isovalent lithium (Li), cesium (Cs), and rubidium (Rb) in copper nitride.
  • Utilized first-principles calculations to understand impurity behavior and defect formation.
  • Controlled electron and hole concentrations through impurity size variations.

Main Results:

  • Smaller Li impurities at interstitial positions enhanced n-type conductivity (10^15 to 10^18 cm^-3).
  • Larger Cs and Rb impurities induced p-type conversion (10^14 to 10^17 cm^-3) by forming acceptor defect complexes.
  • Li acts as a shallow donor, while Cs/Rb promote Cu vacancies due to ionic repulsion.

Conclusions:

  • Isovalent impurity size-dependent doping offers a new route for semiconductor doping.
  • This method provides tunable n-type and p-type conductivity in monovalent cation compounds.
  • Enables advancements in optoelectronic devices utilizing copper nitride and similar semiconductors.