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Optical absorption of dilute nitride alloys using self-consistent Green's function method.

Masoud Seifikar1, Eoin P O'Reilly1, Stephen Fahy1

  • 1Tyndall National Institute, Lee Maltings, Dyke Parade, Cork, Ireland ; Department of Physics, University College Cork, Cork, Ireland.

Nanoscale Research Letters
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Summary
This summary is machine-generated.

We calculated optical absorption in InGaNAs and GaNSb using two models. Including more nitrogen states improved InGaNAs predictions, while GaNSb showed more disorder than expected.

Keywords:
Band anticrossing modelDilute nitride semiconductorsOptical absorptionSelf-consistent Green’s function

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Area of Science:

  • Semiconductor physics
  • Materials science
  • Computational condensed matter physics

Background:

  • Optical absorption is crucial for semiconductor device performance.
  • Understanding alloy properties requires accurate theoretical models.
  • Indium Gallium Nitride Arsenide (InGaNAs) and Gallium Arsenide Antimonide (GaNSb) are important dilute alloys.

Purpose of the Study:

  • To calculate and compare the optical absorption spectra of InGaNAs and GaNSb.
  • To evaluate the accuracy of the band anticrossing (BAC) model and the self-consistent Green's function (SCGF) method for these alloys.
  • To investigate the role of nitrogen (N) states and alloy disorder on optical properties.

Main Methods:

  • Calculations employed the band anticrossing (BAC) model, incorporating interactions between isolated/pair N levels and host bands.
  • The self-consistent Green's function (SCGF) method was used, accounting for a full distribution of N states and various band types (non-parabolic conduction/light-hole, parabolic heavy-hole/spin-split-off).
  • Theoretical absorption spectra were compared with experimental data.

Main Results:

  • The BAC model successfully reproduced many features of the InGaNAs absorption spectrum.
  • Incorporating the full distribution of N states in the SCGF approach further enhanced agreement with experimental InGaNAs data.
  • Calculations for GaNSb alloys accurately predicted band edges but revealed more spectral features than observed experimentally.
  • The discrepancy in GaNSb suggests a higher degree of alloy disorder compared to InGaNAs.

Conclusions:

  • The BAC model provides a good approximation for InGaNAs optical properties.
  • The SCGF method, with a comprehensive treatment of N states, offers improved accuracy for dilute nitride alloys.
  • GaNSb alloys exhibit significant disorder, impacting their optical absorption spectra.
  • Further theoretical and experimental investigations are needed to fully understand disorder effects in GaNSb.